UCSF

ZINC44116819

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.18 3.42 -4.83 1 3 0 33 249.354 3
Mid Mid (pH 6-8) 2.18 5.79 -37.84 2 3 1 34 250.362 3

Activity (Go SEA)

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