UCSF

ZINC33692965

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 33 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) 7.56 17 -26.61 2 5 1 57 442.583 8
Mid Mid (pH 6-8) 7.56 16.66 -19.18 1 5 0 56 441.575 8
Mid Mid (pH 6-8) 7.56 16.84 -38.33 2 5 1 60 442.583 8
Lo Low (pH 4.5-6) 7.56 17.17 -81.12 3 5 2 61 443.591 8

Activity (Go SEA)

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