UCSF

ZINC08871735

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.40 -0.82 -56.73 2 7 1 84 426.468 7
Mid Mid (pH 6-8) 0.82 -0.98 -66.03 1 7 1 81 426.468 7
Lo Low (pH 4.5-6) 1.40 -0.71 -107.89 3 7 2 85 427.476 7
Lo Low (pH 4.5-6) 0.82 -0.87 -122.84 2 7 2 82 427.476 7

Activity (Go SEA)

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