UCSF

ZINC05760472

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 23 Yes

CAS Numbers: 87549-35-7 , [87549-35-7]

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) 1.85 3.27 -43.81 4 5 1 76 324.441 11
Hi High (pH 8-9.5) 1.85 2.09 -7.96 3 5 0 71 323.433 11

Activity (Go SEA)

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