UCSF

ZINC62875740

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2011 18 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) 0.66 5.35 -45.69 1 6 0 83 253.302 4
Hi High (pH 8-9.5) 0.66 3.53 -47.05 0 6 -1 82 252.294 4

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

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