UCSF

ZINC25862860

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 34 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) 3.86 11.17 -57.57 2 7 1 67 475.642 8
Mid Mid (pH 6-8) 3.86 8.86 -13.8 1 7 0 66 474.634 8

Activity (Go SEA)

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