UCSF

ZINC19437827

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 20 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) -0.09 4.94 -97.21 5 4 2 61 279.428 7
Hi High (pH 8-9.5) -0.09 2.55 -9.47 3 4 0 58 277.412 7
Mid Mid (pH 6-8) -0.09 4.6 -38.65 4 4 1 60 278.42 7

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Rings

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