UCSF

ZINC20131109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 17 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) 3.82 6.91 -42.79 3 2 1 37 252.765 5
Hi High (pH 8-9.5) 3.82 7.41 -26.59 2 2 0 40 251.757 5

Activity (Go SEA)

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