UCSF

ZINC70336563

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 2.71 6.77 -103.68 4 3 2 41 290.451 6
Hi High (pH 8-9.5) 2.71 7.07 -29.92 3 3 1 37 289.443 6
Mid Mid (pH 6-8) 2.71 7.12 -30.88 3 3 1 40 289.443 6

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

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