UCSF

ZINC43262912

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 3.16 5.98 -29.19 3 3 1 40 350.346 8
Hi High (pH 8-9.5) 3.15 4.43 -2.12 2 3 0 38 349.338 8
Mid Mid (pH 6-8) 3.16 4.75 -44.07 3 3 1 40 350.346 8
Mid Mid (pH 6-8) 3.16 6.3 -108.29 4 3 2 41 351.354 8

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