UCSF

ZINC62463682

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 19 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) 1.27 3.83 -39.24 2 5 1 55 271.381 7
Mid Mid (pH 6-8) 1.27 2.41 -4.61 1 5 0 51 270.373 7
Mid Mid (pH 6-8) 1.27 5.85 -110.58 3 5 2 57 272.389 7
Lo Low (pH 4.5-6) 1.27 4.99 -42.04 2 5 1 52 271.381 7

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

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