UCSF

ZINC40892011

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 28 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) 2.44 5.33 -31 3 6 1 87 388.415 9
Hi High (pH 8-9.5) 2.44 7.1 -17.89 2 6 0 89 387.407 9

Activity (Go SEA)

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