UCSF

ZINC19722133

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 14 Yes

Other Names:

MFCD07644517

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) 4.04 4.53 -32.38 0 2 -1 36 247.488 0
Mid Mid (pH 6-8) 2.74 4.9 -18.74 1 2 0 33 248.496 0

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

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