UCSF

ZINC09281916

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 35 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) 3.35 -0.2 -16.37 2 11 0 142 469.461 6
Mid Mid (pH 6-8) 3.35 0.09 -46.45 3 11 1 144 470.469 6

Activity (Go SEA)

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