UCSF

ZINC26170078

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 21 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) 2.61 6.42 -45.52 2 5 1 40 291.419 4
Hi High (pH 8-9.5) 2.61 3.89 -10.88 1 5 0 39 290.411 4

Activity (Go SEA)

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