UCSF

ZINC20426974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 23 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) 2.80 11.13 -48.12 1 4 1 38 309.389 2
Mid Mid (pH 6-8) 2.80 9.63 -44.63 1 4 1 38 309.389 2
Mid Mid (pH 6-8) 2.80 8.65 -9.67 0 4 0 37 308.381 2
Mid Mid (pH 6-8) 4.86 12.19 -5.03 0 2 0 8 334.438 3
Mid Mid (pH 6-8) 4.86 13.79 -38.6 1 2 1 9 335.446 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.