UCSF

ZINC43304739

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 21 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) 1.18 5.26 -11.5 0 5 0 44 295.427 3
Mid Mid (pH 6-8) 1.18 7.41 -45.07 1 5 1 45 296.435 3

Activity (Go SEA)

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