UCSF

ZINC26962120

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 27 Yes

Popular Name: [(2R,3S)-2-(4-hydroxyphenyl)-5-(2-methylaminoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] [(2R,3S)-2-(4-hydroxyphenyl)-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) 2.56 7.43 -51.06 3 6 1 83 387.481 6 ↓
Hi High (pH 8-9.5) 2.56 5.92 -16.11 2 6 0 79 386.473 6 ↓

Activity (Go SEA)

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