UCSF

ZINC19687891

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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) 0.38 2.58 -38.17 2 4 1 40 224.328 3
Hi High (pH 8-9.5) 0.38 1.22 -6.14 1 4 0 36 223.32 3
Mid Mid (pH 6-8) 0.38 4.9 -92.76 3 4 2 41 225.336 3

Activity (Go SEA)

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