UCSF

ZINC61820302

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 20 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) 1.92 6.8 -35.08 4 4 1 68 273.404 2
Hi High (pH 8-9.5) 1.92 7.83 -6.39 3 4 0 66 272.396 2
Lo Low (pH 4.5-6) 1.92 7.22 -88.77 5 4 2 69 274.412 2

Activity (Go SEA)

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