UCSF

ZINC11990279

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2008 29 No

Popular Name: (2S)-N-[(2-hydroxyphenyl)methyleneamino]-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3 (2S)-N-[(2-hydroxyphenyl)methyle…

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) 3.84 7.73 -18.54 2 7 0 97 410.499 4 ↓
Hi High (pH 8-9.5) 3.84 8.51 -61.47 1 7 -1 99 409.491 4 ↓
Lo Low (pH 4.5-6) 3.84 8.06 -48.46 3 7 1 98 411.507 4 ↓

Activity (Go SEA)

Rings

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