UCSF

ZINC37051860

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 No

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) 0.53 5.41 -44.45 2 4 1 44 236.339 6
Hi High (pH 8-9.5) 0.53 4.02 -7.14 1 4 0 39 235.331 6

Activity (Go SEA)

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