UCSF

ZINC49560622

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 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) 3.17 3.51 -13.71 4 6 0 100 324.431 3
Mid Mid (pH 6-8) 2.24 2.98 -53.87 3 6 -1 99 323.423 4
Lo Low (pH 4.5-6) 3.17 3.31 -59.7 5 6 1 102 325.439 3

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

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