UCSF

ZINC40466111

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 27 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) 1.24 11.42 -62.61 0 6 -1 75 373.404 5
Mid Mid (pH 6-8) -1.50 9.68 -25.55 1 6 0 78 374.412 4

Activity (Go SEA)

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