UCSF

ZINC59566696

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 13 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) -2.63 -2.53 -60.2 4 6 0 108 188.183 3
Mid Mid (pH 6-8) -2.63 -2.89 -42.93 3 6 -1 107 187.175 3

Activity (Go SEA)

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