UCSF

ZINC19999163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 24 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) -0.67 2.05 -58.12 4 8 0 120 335.36 7
Hi High (pH 8-9.5) -0.67 -1.43 -52.85 3 8 -1 116 334.352 7
Mid Mid (pH 6-8) 0.18 -1.08 -13.51 4 8 0 117 335.36 7

Activity (Go SEA)

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