UCSF

ZINC20219433

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 32 No

Popular Name: (5S)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(7-methoxybenzofuran-2-carbonyl)-5-(4-pyridyl)-5H-pyrrol- (5S)-1-(3-dimethylaminopropyl)-3…

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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) 1.96 8.27 -72.17 1 8 0 100 435.48 8 ↓
Lo Low (pH 4.5-6) 1.96 8.73 -109.03 2 8 1 101 436.488 8 ↓
Lo Low (pH 4.5-6) 1.96 7.98 -104.5 3 8 2 99 437.496 8 ↓
Lo Low (pH 4.5-6) 1.96 7.52 -45.05 2 8 1 97 436.488 8 ↓

Activity (Go SEA)

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