UCSF

ZINC22175417

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 14 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) -0.73 -0.37 -92.88 5 4 2 56 203.33 5
Hi High (pH 8-9.5) -0.73 -3.25 -4.1 3 4 0 53 201.314 5
Mid Mid (pH 6-8) -0.73 -2.68 -48.71 4 4 1 54 202.322 5

Activity (Go SEA)

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