UCSF

ZINC26165785

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 23 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) 2.06 6.15 -50.28 2 6 1 57 319.429 5
Hi High (pH 8-9.5) 2.06 3.61 -15 1 6 0 56 318.421 5

Activity (Go SEA)

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