UCSF

ZINC43435566

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.77 4.88 -32.12 4 5 1 86 279.36 8
Mid Mid (pH 6-8) 1.77 3.9 -11.31 3 5 0 81 278.352 8

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Rings

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