UCSF

ZINC75629701

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2012 17 Yes

Other Names:

MFCD09835259

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) 2.22 4.2 -38.75 3 4 1 55 232.307 2
Hi High (pH 8-9.5) 2.22 3.13 -6.87 2 4 0 50 231.299 2
Lo Low (pH 4.5-6) 2.22 4.19 -39.79 3 4 1 55 232.307 2

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

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