UCSF

ZINC37032892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.68 1.26 -54.87 4 5 1 91 271.362 5
Hi High (pH 8-9.5) 0.68 0.91 -11.63 3 5 0 89 270.354 5

Activity (Go SEA)

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