UCSF

ZINC16916255

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 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) 2.34 4.83 -9.83 1 4 0 45 291.351 2
Hi High (pH 8-9.5) 2.41 4.01 -43.02 0 4 -1 52 290.343 2
Mid Mid (pH 6-8) 2.34 7.56 -50.58 2 4 1 46 292.359 2

Activity (Go SEA)

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