UCSF

ZINC53435332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 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) 2.36 4.75 -40.72 2 4 1 42 267.393 5
Hi High (pH 8-9.5) 2.36 3.56 -4.71 1 4 0 38 266.385 5
Lo Low (pH 4.5-6) 2.36 6.7 -120.86 3 4 2 43 268.401 5

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

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