UCSF

ZINC69680934

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 22 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) 0.34 4.83 -54 2 6 1 58 308.45 6
Hi High (pH 8-9.5) 0.34 3.52 -11.53 1 6 0 53 307.442 6
Lo Low (pH 4.5-6) 0.34 7.08 -135.25 3 6 2 59 309.458 6

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

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