UCSF

ZINC01091740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 35 No

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) 3.41 12.44 -70.88 0 7 -1 84 463.517 4
Lo Low (pH 4.5-6) 2.90 13.25 -25.95 1 7 0 78 464.525 4

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

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