UCSF

ZINC05799647

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 31 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) 2.97 9.68 -40.52 0 6 -1 83 413.453 7
Mid Mid (pH 6-8) 3.42 8.11 -29.67 1 6 0 80 414.461 6
Mid Mid (pH 6-8) 2.39 9.11 -23.84 0 6 0 77 414.461 7
Lo Low (pH 4.5-6) 2.97 8.68 -43.16 2 6 1 81 415.469 7
Lo Low (pH 4.5-6) 2.39 9.39 -50.71 1 6 1 78 415.469 7

Activity (Go SEA)

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