UCSF

ZINC87493302

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 11.54 -37.75 1 3 1 25 356.317 5
Hi High (pH 8-9.5) 4.10 9.08 -4.14 0 3 0 24 355.309 5
Hi High (pH 8-9.5) -1.89 5.42 -27.24 0 1 1 3 146.641 0

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

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