UCSF

ZINC01325970

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 14 Yes

CAS Number: 838089-56-8

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) 1.78 -2.36 -8.78 1 4 0 47 213.668 3

Activity (Go SEA)

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