UCSF

ZINC70309602

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 21 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) -0.44 2.68 -63.02 2 8 -1 128 292.271 5
Mid Mid (pH 6-8) 0.02 0.54 -114.7 1 8 -2 131 291.263 5
Lo Low (pH 4.5-6) -0.44 0.7 -21.73 3 8 0 125 293.279 5

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

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