UCSF

ZINC39229941

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 25 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) 1.34 8.06 -35.2 2 6 1 69 341.435 7
Mid Mid (pH 6-8) 1.34 7.6 -10.25 1 6 0 67 340.427 7

Activity (Go SEA)

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