UCSF

ZINC19868210

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 27 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) 1.82 7.59 -8.82 0 5 0 44 363.461 5
Ref Reference (pH 7) 1.82 7.6 -8.59 0 5 0 44 363.461 5
Mid Mid (pH 6-8) 1.82 9.85 -45.87 1 5 1 45 364.469 5
Mid Mid (pH 6-8) 1.82 9.85 -46.16 1 5 1 45 364.469 5

Activity (Go SEA)

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