UCSF

ZINC35698253

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 1.32 7.64 -14.01 1 5 0 64 296.373 3
Mid Mid (pH 6-8) 1.78 6.32 -42.89 0 5 -1 67 295.365 3

Activity (Go SEA)

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