UCSF

ZINC38694641

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 33 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) 5.78 8.92 -16.2 1 6 0 84 484.643 5
Mid Mid (pH 6-8) 5.78 9.58 -58.16 0 6 -1 86 483.635 5

Activity (Go SEA)

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