UCSF

ZINC20496009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 3.88 4.23 -19.39 1 6 0 77 343.77 5
Mid Mid (pH 6-8) 3.95 2.8 -50.31 0 6 -1 84 342.762 5

Activity (Go SEA)

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