UCSF

ZINC37980811

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 11 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) 0.59 2.51 -7.96 1 3 0 49 150.181 4
Mid Mid (pH 6-8) 0.59 3.88 -54.84 2 3 1 54 151.189 4

Activity (Go SEA)

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