UCSF

ZINC19555383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 22 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) 1.92 6.8 -35.47 1 4 1 30 298.41 5
Mid Mid (pH 6-8) 1.92 6.87 -41.7 1 4 1 30 298.41 5
Mid Mid (pH 6-8) 1.92 4.49 -6.67 0 4 0 29 297.402 5
Lo Low (pH 4.5-6) 1.92 7.6 -91.06 2 4 2 31 299.418 5

Activity (Go SEA)

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