UCSF

ZINC05933988

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 20 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) 2.31 2.85 -60.16 0 5 -1 79 264.264 3
Ref Reference (pH 7) 1.58 5.42 -8.58 2 5 0 79 265.272 2
Mid Mid (pH 6-8) 1.58 6.48 -18.16 2 5 0 79 265.272 2
Lo Low (pH 4.5-6) 1.85 5.98 -42.2 2 5 1 77 266.28 3
Lo Low (pH 4.5-6) 1.85 5.73 -11.84 1 5 0 76 265.272 3

Activity (Go SEA)

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

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