UCSF

ZINC37037959

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.62 3.73 -47.72 3 5 1 60 258.386 5
Mid Mid (pH 6-8) 0.62 5.54 -111.85 4 5 2 62 259.394 5

Activity (Go SEA)

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