UCSF

ZINC43698672

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 20 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) 0.97 3.34 -43.41 4 4 1 68 293.412 3
Mid Mid (pH 6-8) 0.97 1.22 -13.84 3 4 0 67 292.404 3

Activity (Go SEA)

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