UCSF

ZINC62640733

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2011 34 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) 2.83 10.19 -52.55 2 9 1 101 486.618 8
Hi High (pH 8-9.5) 2.83 8.1 -14.53 1 9 0 100 485.61 8

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

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