UCSF

ZINC87493301

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 23 Yes

Other Names:

MFCD00672679

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.10 10.23 -42.56 1 3 1 25 356.317 5
Hi High (pH 8-9.5) 4.10 8.19 -4.64 0 3 0 24 355.309 5
Hi High (pH 8-9.5) 1.83 6.92 -19.36 3 9 0 114 439.785 7

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

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