UCSF

ZINC62971242

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 1.29 6.99 -90.58 3 5 2 50 265.405 6
Hi High (pH 8-9.5) 1.29 3.22 -6.6 1 5 0 44 263.389 6
Mid Mid (pH 6-8) 1.29 4.59 -41.16 2 5 1 49 264.397 6

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

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