UCSF

ZINC22930392

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 24 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) 3.28 9.63 -43.87 1 4 1 30 324.448 5
Hi High (pH 8-9.5) 3.28 7.3 -11.8 0 4 0 28 323.44 5
Mid Mid (pH 6-8) 3.28 9.77 -41.74 1 4 1 30 324.448 5

Activity (Go SEA)

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