UCSF

ZINC33914890

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 34 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) 0.64 10.42 -36.32 2 8 0 113 464.518 5
Mid Mid (pH 6-8) 0.64 9.2 -56.49 1 8 -1 108 463.51 5
Mid Mid (pH 6-8) 0.64 9.49 -52.42 1 8 -1 108 463.51 5

Activity (Go SEA)

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