UCSF

ZINC16732230

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 No

Popular Name: (5S)-4-(4-allyloxybenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(4-pyridylmethyl)-5H-pyrrol-2-one (5S)-4-(4-allyloxybenzoyl)-3-hyd…

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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) 4.70 11.75 -13.88 1 6 0 80 468.553 9 ↓
Mid Mid (pH 6-8) 4.12 12.44 -20.04 0 6 0 77 468.553 9 ↓
Lo Low (pH 4.5-6) 5.15 11.7 -59.72 2 6 1 81 469.561 8 ↓
Lo Low (pH 4.5-6) 4.12 12.72 -60.17 1 6 1 78 469.561 9 ↓

Activity (Go SEA)

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