UCSF

ZINC37192252

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 2.72 7.48 -11.64 2 4 0 56 270.361 3
Mid Mid (pH 6-8) 2.72 7.92 -29.97 3 4 1 57 271.369 3
Lo Low (pH 4.5-6) 2.72 8.4 -73.26 4 4 2 59 272.377 3
Lo Low (pH 4.5-6) 2.72 7.96 -34.96 3 4 1 57 271.369 3

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

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