UCSF

ZINC66184116

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 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) 4.18 10.15 -35.44 2 3 1 26 299.438 9
Hi High (pH 8-9.5) 4.18 8.03 -3.87 1 3 0 24 298.43 9

Activity (Go SEA)

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