UCSF

ZINC20120611

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.74 4.45 -3.15 1 3 0 24 262.397 5
Mid Mid (pH 6-8) 2.74 6.13 -39.15 2 3 1 29 263.405 5
Lo Low (pH 4.5-6) 2.74 6.92 -31.62 2 3 1 26 263.405 5

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

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