UCSF

ZINC01665012

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

CAS Number: 6321-45-5

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) 2.45 2.95 -4.54 0 2 0 26 142.198 6

Activity (Go SEA)

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