UCSF

ZINC42470641

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) -0.50 -0.56 -36.56 5 6 1 100 244.315 6
Hi High (pH 8-9.5) -0.50 -0.87 -13.14 4 6 0 99 243.307 6

Activity (Go SEA)

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