UCSF

ZINC67955222

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 23 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) 0.61 5.32 -39.75 1 5 1 31 317.457 4
Hi High (pH 8-9.5) 0.61 2.85 -8.08 0 5 0 30 316.449 4
Lo Low (pH 4.5-6) 0.61 7.58 -94.75 2 5 2 32 318.465 4

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

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