UCSF

ZINC49510391

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 2.18 5.47 -29.21 2 4 1 38 306.455 5
Mid Mid (pH 6-8) 2.18 5.46 -29.52 2 4 1 38 306.455 4
Mid Mid (pH 6-8) 2.18 7.8 -100.37 3 4 2 40 307.463 4
Lo Low (pH 4.5-6) 2.18 7.81 -97.51 3 4 2 40 307.463 5

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

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