UCSF

ZINC13684183

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 No

Popular Name: (5S)-5-(3-chlorophenyl)-4-(3,5-dimethyl1H-pyrazole-4-carbonyl)-3-hydroxy-1-(3-morpholinopropyl)-5H-p (5S)-5-(3-chlorophenyl)-4-(3,5-d…

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) 1.93 5.32 -60.88 1 8 -1 102 457.938 7 ↓
Mid Mid (pH 6-8) 2.38 6.61 -64.3 3 8 1 100 459.954 6 ↓
Mid Mid (pH 6-8) 1.35 7.61 -56.67 2 8 1 97 459.954 7 ↓
Mid Mid (pH 6-8) 1.93 7.66 -72.04 2 8 0 103 458.946 7 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.