UCSF

ZINC54830756

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 16 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) 0.77 2.86 -47.04 3 4 1 66 215.28 3
Mid Mid (pH 6-8) 0.77 2.46 -8.7 2 4 0 65 214.272 3
Lo Low (pH 4.5-6) 0.77 3.27 -91.15 4 4 2 68 216.288 3

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

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