UCSF

ZINC13691543

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 No

Popular Name: (5S)-4-(5-chloro-2-methoxy-benzoyl)-3-hydroxy-5-(3-pyridyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one (5S)-4-(5-chloro-2-methoxy-benzo…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 8.98 -66.74 0 7 -1 95 434.859 6 ↓
Mid Mid (pH 6-8) 2.41 7.81 -29.07 1 7 0 93 435.867 5 ↓
Mid Mid (pH 6-8) 1.38 9.01 -21.59 0 7 0 89 435.867 6 ↓
Lo Low (pH 4.5-6) 2.41 8.09 -64.01 2 7 1 94 436.875 5 ↓
Lo Low (pH 4.5-6) 1.38 9.29 -57.19 1 7 1 91 436.875 6 ↓
Lo Low (pH 4.5-6) 2.41 8.09 -60.9 2 7 1 94 436.875 5 ↓
Lo Low (pH 4.5-6) 1.38 9.29 -61.35 1 7 1 91 436.875 6 ↓
Lo Low (pH 4.5-6) 2.41 8.37 -114.49 3 7 2 95 437.883 5 ↓
Lo Low (pH 4.5-6) 1.38 9.57 -115.37 2 7 2 92 437.883 6 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )