UCSF

ZINC12401722

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 34 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) 7.41 14.56 -10.84 0 4 0 38 451.614 6
Mid Mid (pH 6-8) 7.41 16.86 -44.07 1 4 1 39 452.622 6

Activity (Go SEA)

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