UCSF

ZINC20759121

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 36 No

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) 3.45 8.86 -52.18 2 8 1 86 485.564 7
Mid Mid (pH 6-8) 3.45 8.44 -22.83 1 8 0 85 484.556 7
Mid Mid (pH 6-8) 3.63 7.94 -90.33 3 8 2 91 486.572 7
Mid Mid (pH 6-8) 3.63 5.25 -16.14 1 8 0 89 484.556 7
Mid Mid (pH 6-8) 3.45 11.13 -96.51 3 8 2 88 486.572 7

Activity (Go SEA)

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