UCSF

ZINC26071927

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 29 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) 2.91 8.43 -15.35 0 6 0 53 413.905 4
Mid Mid (pH 6-8) 2.91 10.76 -59.84 1 6 1 54 414.913 4

Activity (Go SEA)

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