UCSF

ZINC37032017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 4.11 7.12 -37.15 3 3 1 46 338.269 3
Mid Mid (pH 6-8) 4.11 6.04 -4.22 2 3 0 41 337.261 3

Activity (Go SEA)

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