UCSF

ZINC09124404

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 30 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) 3.85 6.56 -16.8 3 6 0 89 443.956 6
Ref Reference (pH 7) 3.85 5.91 -14.16 3 6 0 89 443.956 6
Hi High (pH 8-9.5) 3.82 6.68 -42.46 1 6 -1 88 442.948 6
Hi High (pH 8-9.5) 3.82 6.21 -52.49 1 6 -1 88 442.948 6
Hi High (pH 8-9.5) 3.85 6.75 -39.53 2 6 -1 92 442.948 6
Mid Mid (pH 6-8) 3.85 6.67 -52.07 2 6 -1 92 442.948 6

Activity (Go SEA)

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