UCSF

ZINC37292688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 3.44 9.35 -31.71 2 2 1 16 271.428 2
Hi High (pH 8-9.5) 3.44 7.11 -2.07 1 2 0 15 270.42 2
Lo Low (pH 4.5-6) 3.44 10.4 -115.93 3 2 2 21 272.436 2

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

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