UCSF

ZINC27424906

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 23 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) 4.23 4.99 -11.12 0 5 0 57 312.369 6
Mid Mid (pH 6-8) 4.23 5.38 -38.41 1 5 1 59 313.377 6

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

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