UCSF

ZINC20192376

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 31 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) 2.00 5.77 -36.42 3 7 1 83 441.577 7
Mid Mid (pH 6-8) 2.00 7.3 -44.24 3 7 1 83 441.577 7
Mid Mid (pH 6-8) 2.00 4.96 -12.49 2 7 0 82 440.569 7
Lo Low (pH 4.5-6) 2.00 7.81 -97.38 4 7 2 84 442.585 7

Activity (Go SEA)

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

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