UCSF

ZINC22172016

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 0.94 3.84 -35.44 4 5 1 69 264.349 4
Hi High (pH 8-9.5) 0.94 1.52 -10.75 3 5 0 68 263.341 4

Activity (Go SEA)

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