UCSF

ZINC35784295

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 14 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) 0.64 1.48 -2.11 2 3 0 38 198.31 1
Lo Low (pH 4.5-6) 0.64 3.41 -27.18 3 3 1 40 199.318 1
Lo Low (pH 4.5-6) 0.64 3.68 -116.66 4 3 2 41 200.326 1

Activity (Go SEA)

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