UCSF

ZINC37869587

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 17 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) 0.50 0.13 -42.62 5 5 1 89 239.295 6
Mid Mid (pH 6-8) 0.50 -0.94 -10.57 4 5 0 85 238.287 6

Activity (Go SEA)

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