UCSF

ZINC19989379

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 24 No

Other Names:

MFCD03997403

Download: MOL2 SDF SMILES Flexibase

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) 2.90 8.42 -55.5 2 4 1 54 341.353 4
Mid Mid (pH 6-8) 2.90 7.22 -11.53 1 4 0 49 340.345 4

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

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