UCSF

ZINC96316421

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2014 29 Yes

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) 4.33 11.4 -56.28 1 4 1 40 392.519 3
Hi High (pH 8-9.5) 4.33 9.17 -11.17 0 4 0 39 391.511 3

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

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