UCSF

ZINC41584515

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.04 9.95 -39.17 2 5 1 68 353.442 7
Hi High (pH 8-9.5) 4.04 10.53 -23 1 5 0 71 352.434 7
Lo Low (pH 4.5-6) 4.04 10.35 -80.73 3 5 2 69 354.45 7

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

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