UCSF

ZINC42459286

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 No

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) -0.01 3.01 -36.33 3 3 1 40 191.32 6
Mid Mid (pH 6-8) -0.01 0.89 -7.41 2 3 0 38 190.312 6

Activity (Go SEA)

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