UCSF

ZINC43975548

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 2.12 5.38 -36.19 2 4 1 38 261.43 10
Hi High (pH 8-9.5) 2.12 1.89 -3.19 1 4 0 34 260.422 10
Mid Mid (pH 6-8) 2.12 4.55 -26.42 2 4 1 35 261.43 10

Activity (Go SEA)

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