UCSF

ZINC19706463

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 30 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) 1.83 2.21 -45.65 1 9 -1 123 411.39 6
Hi High (pH 8-9.5) 1.83 3.12 -99.87 0 9 -2 126 410.382 6
Mid Mid (pH 6-8) 1.37 3.98 -14 2 9 0 120 412.398 6

Activity (Go SEA)

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