UCSF

ZINC12468653

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 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) 2.17 6.57 -57.72 0 8 -1 95 464.542 10
Mid Mid (pH 6-8) 2.17 8.83 -70.79 1 8 0 96 465.55 10

Activity (Go SEA)

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