UCSF

ZINC21793644

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 27 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) 2.28 8.77 -11.47 0 6 0 53 385.899 3
Lo Low (pH 4.5-6) 2.28 8.96 -35.46 1 6 1 54 386.907 3
Lo Low (pH 4.5-6) 2.28 9.03 -38.59 1 6 1 54 386.907 3

Activity (Go SEA)

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