UCSF

ZINC20300052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 13 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) 0.61 3.35 -14.44 1 6 0 72 219.035 2
Mid Mid (pH 6-8) 0.61 3.21 -34.7 0 6 -1 71 218.027 2

Activity (Go SEA)

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