UCSF

ZINC98091381

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2014 30 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) 2.04 7.95 -85.64 6 6 2 91 408.546 7
Hi High (pH 8-9.5) 2.04 6.71 -44.2 5 6 1 87 407.538 7
Hi High (pH 8-9.5) 2.04 5.46 -15.63 4 6 0 82 406.53 7

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

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