UCSF

ZINC43395829

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.99 3.86 -100.37 4 4 2 54 237.347 2
Hi High (pH 8-9.5) 0.99 3.42 -5.82 2 4 0 51 235.331 2
Hi High (pH 8-9.5) 0.99 3.86 -25.68 3 4 1 53 236.339 2
Mid Mid (pH 6-8) 0.99 3.42 -47.91 3 4 1 53 236.339 2

Activity (Go SEA)

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