UCSF

ZINC62618764

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 2.99 8.53 -36.5 2 2 1 20 239.342 1
Mid Mid (pH 6-8) 2.99 7.47 -33.2 2 2 1 16 239.342 1
Mid Mid (pH 6-8) 2.99 7.31 -2.73 1 2 0 15 238.334 1

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

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