UCSF

ZINC37852214

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.66 -1.14 -46.03 3 6 1 68 289.396 9
Hi High (pH 8-9.5) -0.66 -2.5 -8.51 2 6 0 63 288.388 9
Lo Low (pH 4.5-6) -0.66 -0.24 -40.4 3 6 1 64 289.396 9

Activity (Go SEA)

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