UCSF

ZINC54050955

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2010 12 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) -0.78 4.62 -47.34 0 4 -1 60 172.204 4

Activity (Go SEA)

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