UCSF

ZINC12311280

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2008 31 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) 4.35 9.94 -37.1 0 6 -1 79 463.337 9
Mid Mid (pH 6-8) 3.77 -0.68 -27.54 0 6 0 73 464.345 9

Activity (Go SEA)

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