UCSF

ZINC00056761

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 17 Yes

Popular Name: BW-647U HCl BW-647U HCl

Find On: PubMed — Wikipedia — Google

CAS Numbers: 62220-58-0 , 79467-22-4

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) 2.33 3.87 -45.37 4 2 1 48 246.355 4 ↓
Hi High (pH 8-9.5) 2.33 3.44 -5.69 3 2 0 46 245.347 4 ↓

Activity (Go SEA)

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