UCSF

ZINC33689266

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 18 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) -3.95 -10.83 -152.57 5 10 -2 183 288.145 4
Mid Mid (pH 6-8) -3.95 -12.02 -59.77 6 10 -1 180 289.153 4

Activity (Go SEA)

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