UCSF

ZINC25464301

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 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) 3.19 13.68 -66.41 2 5 1 56 440.567 5
Mid Mid (pH 6-8) 3.19 11.46 -20.62 1 5 0 54 439.559 5

Activity (Go SEA)

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