UCSF

ZINC49409889

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 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) 4.54 7.25 -47.73 0 8 -1 94 440.549 4
Mid Mid (pH 6-8) 4.54 7.09 -67.9 1 8 0 96 441.557 4
Lo Low (pH 4.5-6) 4.08 8.99 -50.52 2 8 1 93 442.565 4

Activity (Go SEA)

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

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