UCSF

ZINC40636356

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 17 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) -0.48 0.49 -45.32 3 6 1 75 244.315 5
Mid Mid (pH 6-8) -0.48 -0.7 -18.35 2 6 0 71 243.307 5

Activity (Go SEA)

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