UCSF

ZINC37823259

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 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) 0.34 3.58 -48.06 2 4 1 61 214.314 3
Mid Mid (pH 6-8) 0.34 2.48 -13.9 1 4 0 56 213.306 3

Activity (Go SEA)

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