UCSF

ZINC36165665

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) -0.68 -1.48 -10.65 2 6 0 70 224.264 4
Mid Mid (pH 6-8) -0.68 0.79 -45.55 3 6 1 71 225.272 4

Activity (Go SEA)

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