UCSF

ZINC43915955

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 2.85 5.73 -36.98 2 3 1 29 265.421 8
Hi High (pH 8-9.5) 2.85 4.77 -3 1 3 0 24 264.413 8
Mid Mid (pH 6-8) 2.85 6.05 -31.85 2 3 1 26 265.421 8

Activity (Go SEA)

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