UCSF

ZINC37852240

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 Yes

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) 0.36 -0.79 -5.55 2 5 0 54 272.389 8
Mid Mid (pH 6-8) 0.36 0.57 -44.3 3 5 1 59 273.397 8
Lo Low (pH 4.5-6) 0.36 1.47 -37.84 3 5 1 55 273.397 8

Activity (Go SEA)

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