UCSF

ZINC61913166

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2011 18 Yes

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) 1.63 4.34 -44.19 3 3 1 40 249.378 3

Activity (Go SEA)

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