UCSF

ZINC36876493

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 1.78 5.43 -96.25 4 3 2 47 209.337 2
Mid Mid (pH 6-8) 1.78 5 -42.17 3 3 1 45 208.329 2
Mid Mid (pH 6-8) 1.78 5.18 -42.16 3 3 1 45 208.329 2
Lo Low (pH 4.5-6) 1.78 5.46 -96.56 4 3 2 47 209.337 2

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

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