UCSF

ZINC42207709

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) 0.84 -0.27 -41.82 1 4 -1 68 214.266 4
Lo Low (pH 4.5-6) 0.84 -0.35 -10.19 2 4 0 66 215.274 4

Activity (Go SEA)

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