UCSF

ZINC65734340

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 27 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) -0.99 2.5 -21.28 5 12 0 174 386.361 9
Hi High (pH 8-9.5) -0.99 1.48 -21.09 3 12 0 171 384.345 9
Mid Mid (pH 6-8) -0.99 1.43 -23.3 4 12 0 172 385.353 9

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

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