UCSF

ZINC69874089

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 23 No

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) 1.58 4.63 -55.34 4 6 1 78 343.517 5
Hi High (pH 8-9.5) 1.58 3.18 -19.04 3 6 0 73 342.509 5
Lo Low (pH 4.5-6) 1.58 5.2 -44.5 4 6 1 75 343.517 5

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

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