UCSF

ZINC39301152

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 30 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) 3.45 7.49 -14.22 5 9 0 123 408.462 9
Mid Mid (pH 6-8) 3.45 7.55 -37.21 6 9 1 125 409.47 9
Mid Mid (pH 6-8) 3.45 7.47 -36.16 6 9 1 125 409.47 9

Activity (Go SEA)

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