UCSF

ZINC09827662

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2007 23 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) 0.99 -3.65 -19.61 3 7 0 107 335.385 8
Mid Mid (pH 6-8) 0.99 -3.41 -41.39 4 7 1 108 336.393 8

Activity (Go SEA)

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