UCSF

ZINC19440293

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) -2.21 0.28 -60.17 2 7 -1 109 264.261 4
Lo Low (pH 4.5-6) -2.21 0.52 -46 3 7 0 110 265.269 4

Activity (Go SEA)

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