UCSF

ZINC09360732

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 33 No

Popular Name: 3-hydroxy-4-(4-isobutoxybenzoyl)-5-(3-pyridinyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-isobutoxybenzoyl)…

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) 2.48 9.72 -63.29 0 7 -1 95 442.495 8 ↓
Mid Mid (pH 6-8) 2.93 9.39 -17.26 1 7 0 93 443.503 7 ↓
Lo Low (pH 4.5-6) 2.93 9.66 -38.32 2 7 1 94 444.511 7 ↓
Lo Low (pH 4.5-6) 2.93 9.68 -51.44 2 7 1 94 444.511 7 ↓
Lo Low (pH 4.5-6) 2.93 9.96 -105.69 3 7 2 95 445.519 7 ↓

Activity (Go SEA)

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