UCSF

ZINC52419201

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 18 Yes

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) 2.48 7.65 -89.34 3 3 2 34 269.458 6
Hi High (pH 8-9.5) 2.48 6.27 -31.1 2 3 1 29 268.45 6
Hi High (pH 8-9.5) 2.48 3.74 -3.93 1 3 0 28 267.442 6

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

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