UCSF

ZINC37039670

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -0.43 3.37 -95.73 4 5 2 56 270.421 4
Hi High (pH 8-9.5) -0.43 2.98 -37.23 3 5 1 54 269.413 4

Activity (Go SEA)

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