UCSF

ZINC22171627

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 2.35 7.46 -133.68 4 3 2 41 272.392 4
Hi High (pH 8-9.5) 2.35 5.26 -49.72 3 3 1 40 271.384 4
Hi High (pH 8-9.5) 2.35 7.36 -33.99 3 3 1 40 271.384 4

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