UCSF

ZINC35012758

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.68 9.03 -49.62 2 3 1 43 273.4 6
Hi High (pH 8-9.5) 2.68 8.25 -6.3 1 3 0 38 272.392 6

Activity (Go SEA)

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