UCSF

ZINC61455902

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 15 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) 2.21 6.47 -24.65 3 3 1 43 206.313 3
Mid Mid (pH 6-8) 2.21 6.07 -4.65 2 3 0 42 205.305 3

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

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