UCSF

ZINC36235510

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 0.38 1.43 -52.8 3 6 1 73 281.332 5
Hi High (pH 8-9.5) 0.38 -0.03 -11.9 2 6 0 69 280.324 5

Activity (Go SEA)

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