UCSF

ZINC34125842

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 20 Yes

CAS Number: 65576-45-6

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) 3.94 10.19 -38.68 1 2 1 14 286.782 0
Hi High (pH 8-9.5) 3.94 7.64 -4.03 0 2 0 12 285.774 0

Activity (Go SEA)

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