UCSF

ZINC43409890

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.96 7.95 -106.55 4 3 2 45 301.356 5
Hi High (pH 8-9.5) 2.96 7.27 -6.33 2 3 0 42 299.34 5
Mid Mid (pH 6-8) 2.96 7.54 -55.37 3 3 1 44 300.348 5
Mid Mid (pH 6-8) 2.96 7.65 -23.09 3 3 1 43 300.348 5

Activity (Go SEA)

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