UCSF

ZINC21663183

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 17 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) 2.54 6.19 -32.35 1 4 1 45 247.299 1
Mid Mid (pH 6-8) 2.54 5.79 -9.61 0 4 0 44 246.291 1

Activity (Go SEA)

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