UCSF

ZINC39230227

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 29 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) 3.30 12.56 -35.68 2 5 1 59 387.507 7
Mid Mid (pH 6-8) 3.30 12.1 -10.83 1 5 0 58 386.499 7

Activity (Go SEA)

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