UCSF

ZINC59375214

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 21 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) 1.33 3.97 -107.84 4 5 2 60 296.411 8
Mid Mid (pH 6-8) 1.33 4.5 -45.12 3 5 1 63 295.403 8
Mid Mid (pH 6-8) 1.33 1.45 -44.13 3 5 1 59 295.403 8

Activity (Go SEA)

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