UCSF

ZINC37232060

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 0.28 4.2 -70.76 2 4 1 64 289.38 3
Mid Mid (pH 6-8) 0.28 3.4 -16.14 1 4 0 59 288.372 3
Lo Low (pH 4.5-6) 0.28 3.85 -49.44 2 4 1 60 289.38 3

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

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