UCSF

ZINC44658429

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) -0.59 2.2 -53.75 2 5 1 63 215.273 6
Mid Mid (pH 6-8) -0.59 0.93 -8.46 1 5 0 59 214.265 6
Mid Mid (pH 6-8) -0.59 0.93 -10.57 1 5 0 59 214.265 6

Activity (Go SEA)

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