UCSF

ZINC20092273

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 15 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) 3.09 6.59 -36.34 2 2 1 26 228.381 8
Hi High (pH 8-9.5) 3.09 5.41 -2.68 1 2 0 21 227.373 8

Activity (Go SEA)

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