UCSF

ZINC02166541

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 22 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) 4.81 9.3 -10.26 0 3 0 39 295.382 7
Ref Reference (pH 7) 4.81 10.09 -9.4 0 3 0 39 295.382 7
Lo Low (pH 4.5-6) 4.81 9.75 -45.83 1 3 1 40 296.39 7
Lo Low (pH 4.5-6) 4.81 9.73 -43.68 1 3 1 40 296.39 7
Lo Low (pH 4.5-6) 4.81 10.43 -40.5 1 3 1 40 296.39 7

Activity (Go SEA)

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