UCSF

ZINC20309809

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 33 No

Popular Name: (5S)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(2-hydroxy-4-methoxy-benzoyl)-5-(3-nitrophenyl)-5H-pyrrol (5S)-1-(3-dimethylaminopropyl)-3…

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) 2.59 8.74 -78.75 2 10 0 140 455.467 9 ↓
Hi High (pH 8-9.5) 2.59 9.76 -139 1 10 -1 143 454.459 9 ↓

Activity (Go SEA)

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