UCSF

ZINC57989124

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 11 Yes

CAS Numbers: 155766-33-9 , 155836-78-5

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) 1.29 2.37 -34.24 2 2 1 20 155.265 2
Hi High (pH 8-9.5) 1.29 1.1 -1.05 1 2 0 15 154.257 2

Activity (Go SEA)

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