UCSF

ZINC40898781

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 33 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) 1.84 9.14 -53.64 3 9 1 94 452.514 6
Mid Mid (pH 6-8) 1.84 6.92 -20.77 2 9 0 93 451.506 6

Activity (Go SEA)

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