UCSF

ZINC00000589

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 19 No

CAS Number: 69956-77-0

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) 3.41 1.67 -49.66 0 3 -1 57 257.309 3

Activity (Go SEA)

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