UCSF

ZINC42450040

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 1.35 6.99 -108.22 3 3 2 34 224.348 5
Hi High (pH 8-9.5) 1.35 4.68 -38.78 2 3 1 33 223.34 5
Hi High (pH 8-9.5) 1.35 5.81 -33.99 2 3 1 30 223.34 5

Activity (Go SEA)

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