UCSF

ZINC37828818

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 2.70 6.6 -6.05 0 3 0 24 345.306 4
Lo Low (pH 4.5-6) 2.70 8.81 -42.96 1 3 1 25 346.314 4

Activity (Go SEA)

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