UCSF

ZINC37319802

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 1.72 8.18 -43.31 2 5 1 52 270.36 5
Hi High (pH 8-9.5) 1.72 7.08 -13.12 1 5 0 47 269.352 5
Mid Mid (pH 6-8) 1.72 7.53 -26.31 2 5 1 48 270.36 5
Mid Mid (pH 6-8) 1.72 8.62 -88.16 3 5 2 53 271.368 5

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

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