UCSF

ZINC13683742

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (5S)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(1H-indole-3-carbonyl)-5-(2-methoxyphenyl)-5H-pyrrol-2-on (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) 2.84 10.26 -89.6 2 7 0 90 433.508 8 ↓
Mid Mid (pH 6-8) 3.28 9.12 -62.44 3 7 1 87 434.516 7 ↓
Mid Mid (pH 6-8) 2.25 10.17 -64.67 2 7 1 84 434.516 8 ↓

Activity (Go SEA)

Rings

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

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