UCSF

ZINC37055129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 0.92 5.43 -69 2 6 0 91 300.38 8
Mid Mid (pH 6-8) 0.92 5.52 -97.46 1 6 -1 93 299.372 8

Activity (Go SEA)

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