UCSF

ZINC70329713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 20 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) 2.17 3.37 -20.94 3 5 0 78 271.251 2
Hi High (pH 8-9.5) 2.17 4.13 -61.9 2 5 -1 81 270.243 2
Lo Low (pH 4.5-6) 2.17 3.85 -48.92 4 5 1 79 272.259 2

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

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