UCSF

ZINC19866195

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 3.98 12.14 -109.55 0 8 -2 119 483.476 7
Ref Reference (pH 7) 3.98 12.38 -137.59 0 8 -2 119 483.476 8
Lo Low (pH 4.5-6) 3.98 11.49 -71.23 1 8 -1 116 484.484 8

Activity (Go SEA)

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