UCSF

ZINC40767809

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 22 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) 0.02 2.28 -11.62 1 7 0 71 304.35 3
Mid Mid (pH 6-8) 0.02 4.63 -49.04 2 7 1 72 305.358 3

Activity (Go SEA)

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