UCSF

ZINC49000871

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 20 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) 3.29 7.82 -52.2 2 4 1 57 315.224 5
Mid Mid (pH 6-8) 3.29 5.98 -16.85 1 4 0 56 314.216 5

Activity (Go SEA)

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