UCSF

ZINC37835173

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.77 9.19 -58.34 0 4 -1 60 296.412 6
Lo Low (pH 4.5-6) 2.77 7.28 -13.09 1 4 0 58 297.42 6

Activity (Go SEA)

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