UCSF

ZINC21991820

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 Yes

CAS Number: 153-94-6

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) -1.50 1.95 -46.92 4 4 0 80 206.245 3

Activity (Go SEA)

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