UCSF

ZINC35577803

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 22 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) 2.54 6.68 -44.53 2 4 1 46 297.378 5
Hi High (pH 8-9.5) 2.54 5.32 -8.29 1 4 0 42 296.37 5

Activity (Go SEA)

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