UCSF

ZINC49510397

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 16 No

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) 0.96 2.58 -27.07 2 4 1 38 244.384 4
Mid Mid (pH 6-8) 0.96 4.88 -95.12 3 4 2 40 245.392 3
Mid Mid (pH 6-8) 0.96 2.53 -27.31 2 4 1 38 244.384 3
Lo Low (pH 4.5-6) 0.96 4.92 -92.04 3 4 2 40 245.392 4

Activity (Go SEA)

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

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