UCSF

ZINC36321221

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 22 No

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) 3.12 3.88 -45.78 1 7 -1 114 345.715 4
Hi High (pH 8-9.5) 3.12 4.87 -95.21 0 7 -2 117 344.707 4
Mid Mid (pH 6-8) 3.12 4.71 -43.79 1 7 -1 115 345.715 4
Mid Mid (pH 6-8) 3.12 3.72 -15.44 2 7 0 112 346.723 4

Activity (Go SEA)

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