UCSF

ZINC67514988

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.90 5.99 -48.31 3 5 1 67 307.377 3
Hi High (pH 8-9.5) 2.90 4.65 -10.56 2 5 0 63 306.369 3
Lo Low (pH 4.5-6) 2.90 6.43 -111.93 4 5 2 69 308.385 3

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

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