UCSF

ZINC09228221

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 29 Yes

CAS Number: 65646-68-6

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) 6.88 1.04 -9.4 2 3 0 49 391.555 6

Activity (Go SEA)

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