UCSF

ZINC20125943

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.60 6.77 -36.88 2 2 1 20 276.231 5
Hi High (pH 8-9.5) 3.60 5.26 -3.03 1 2 0 15 275.223 5
Mid Mid (pH 6-8) 3.60 7.55 -29.83 2 2 1 16 276.231 5
Mid Mid (pH 6-8) 3.60 8.6 -108.22 3 2 2 21 277.239 5

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Rings

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