UCSF

ZINC43262444

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 2.50 4.75 -121.21 5 4 2 61 376.364 5
Hi High (pH 8-9.5) 2.50 3.14 -8.92 3 4 0 58 374.348 5
Mid Mid (pH 6-8) 2.50 4.44 -38.99 4 4 1 60 375.356 5
Mid Mid (pH 6-8) 2.50 3.38 -53.26 4 4 1 60 375.356 5

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