UCSF

ZINC28015485

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 25 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) 1.84 2.96 -13.68 2 6 0 71 351.422 7
Mid Mid (pH 6-8) 1.84 5.12 -50.68 3 6 1 72 352.43 7

Activity (Go SEA)

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