UCSF

ZINC42816954

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 2.90 7.02 -38.22 2 3 1 39 263.405 4
Hi High (pH 8-9.5) 2.90 6.61 -6.77 1 3 0 34 262.397 4
Mid Mid (pH 6-8) 2.90 7.4 -91.6 3 3 2 40 264.413 4
Mid Mid (pH 6-8) 2.90 6.99 -23.01 2 3 1 35 263.405 4

Activity (Go SEA)

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