UCSF

ZINC40767811

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 23 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) 0.40 3.1 -11.43 1 7 0 71 318.377 4
Mid Mid (pH 6-8) 0.40 5.31 -47.75 2 7 1 72 319.385 4

Activity (Go SEA)

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