UCSF

ZINC23371307

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 3.48 6.47 -58.1 0 4 -1 61 343.453 4
Mid Mid (pH 6-8) 3.48 6.4 -16.54 1 4 0 59 344.461 4
Mid Mid (pH 6-8) 3.48 7.04 -36.18 1 4 0 62 344.461 4

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

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