UCSF

ZINC95079712

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2013 28 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) 0.16 -3.81 -28.5 4 11 0 157 387.352 4
Hi High (pH 8-9.5) -0.19 -5.39 -70.68 3 11 -1 164 386.344 4

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

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