UCSF

ZINC35314871

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 21 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) 1.38 6.59 -47.52 0 6 -1 69 280.311 2
Mid Mid (pH 6-8) 1.38 8.87 -56.07 1 6 0 71 281.319 2

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

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