UCSF

ZINC37978951

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 16 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) 2.99 6.71 -34.71 2 2 1 16 259.826 4
Lo Low (pH 4.5-6) 2.99 7.9 -109.06 3 2 2 21 260.834 4

Activity (Go SEA)

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