UCSF

ZINC36862649

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) 1.15 1.31 -9.64 4 4 0 71 195.266 3
Mid Mid (pH 6-8) 0.71 -0.54 -50.05 4 4 1 69 196.274 3

Activity (Go SEA)

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