UCSF

ZINC37337773

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 3.95 7.16 -12.12 1 3 0 46 297.166 1
Hi High (pH 8-9.5) 4.41 5.05 -43.49 0 3 -1 49 296.158 1

Activity (Go SEA)

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