UCSF

ZINC37793259

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 5.40 7.21 -45.61 1 4 -1 69 304.269 5
Lo Low (pH 4.5-6) 5.40 5.21 -8.13 2 4 0 66 305.277 5

Activity (Go SEA)

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