UCSF

ZINC20125896

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) 3.08 6.11 -30.34 2 2 1 20 259.776 5
Hi High (pH 8-9.5) 3.08 4.81 -2.36 1 2 0 15 258.768 5
Mid Mid (pH 6-8) 3.08 7.03 -30.82 2 2 1 16 259.776 5
Mid Mid (pH 6-8) 3.08 8.13 -100.69 3 2 2 21 260.784 5

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Rings

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