UCSF

ZINC19775893

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 21 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) 3.44 7.56 -12.41 2 4 0 53 281.359 2
Mid Mid (pH 6-8) 3.44 8.06 -23.13 3 4 1 54 282.367 2

Activity (Go SEA)

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