UCSF

ZINC36097493

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 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) 1.62 2.05 -7.19 1 6 0 58 354.491 10
Mid Mid (pH 6-8) 1.62 4.22 -39.63 2 6 1 60 355.499 10
Lo Low (pH 4.5-6) 1.62 4.32 -41.11 2 6 1 60 355.499 10
Lo Low (pH 4.5-6) 1.62 6.49 -119.55 3 6 2 61 356.507 10

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

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