UCSF

ZINC06777829

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 20 No

CAS Number: 187227-45-8

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) -0.14 -3.69 -69.35 4 6 0 106 284.356 6

Activity (Go SEA)

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