UCSF

ZINC39053817

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 9 Yes

CAS Number: 273-27-8

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) -0.22 1.66 -7.74 0 4 0 51 120.115 0

Activity (Go SEA)

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