UCSF

ZINC37040839

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 No

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) 0.60 0.74 -47.07 4 5 1 75 255.319 3
Mid Mid (pH 6-8) 0.60 -0.44 -13.02 3 5 0 71 254.311 3

Activity (Go SEA)

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