UCSF

ZINC61686751

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2011 17 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) 4.63 7.44 -39.83 2 2 1 26 236.379 7

Activity (Go SEA)

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