UCSF

ZINC20899186

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 32 No

Popular Name: 3-(3-chlorophenyl)-6-hydroxy-5-[(2S)-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1H-pyrimidin 3-(3-chlorophenyl)-6-hydroxy-5-[…

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) 4.45 11.45 -9.74 2 6 0 84 481.986 2 ↓
Hi High (pH 8-9.5) 4.79 9.96 -42.83 2 6 -1 90 480.978 3 ↓

Activity (Go SEA)

Rings

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