UCSF

ZINC35498272

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 39 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) 5.37 10.04 -13.71 1 6 0 68 531.693 1
Lo Low (pH 4.5-6) 5.37 12.38 -49.9 2 6 1 69 532.701 1

Activity (Go SEA)

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