UCSF

ZINC02384841

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 13 Yes

CAS Number: 30806-08-7

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) -1.08 -3.29 -71.85 4 5 0 96 188.227 5

Activity (Go SEA)

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