UCSF

ZINC95535314

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2013 28 No

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) 2.76 14.56 -28.16 1 5 0 71 381.472 9
Hi High (pH 8-9.5) 2.76 12.17 -51.1 0 5 -1 70 380.464 9

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

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