UCSF

ZINC04283644

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 17 Yes

CAS Number: 201058-08-4

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) 3.38 -0.85 -6.56 1 2 0 29 228.291 4

Activity (Go SEA)

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