UCSF

ZINC37789250

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -1.05 1.92 -64.65 2 8 -1 116 265.249 5
Lo Low (pH 4.5-6) -1.05 -0.08 -24.84 3 8 0 113 266.257 5

Activity (Go SEA)

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