UCSF

ZINC19485500

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) 0.09 4.01 -92.7 3 5 2 45 270.421 4
Hi High (pH 8-9.5) 0.09 0.27 -8.22 1 5 0 39 268.405 4
Mid Mid (pH 6-8) 0.09 3.83 -96.17 3 5 2 45 270.421 4
Mid Mid (pH 6-8) 0.09 2.72 -37.55 2 5 1 40 269.413 4

Activity (Go SEA)

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