UCSF

ZINC49793512

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 50 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) 7.30 21.7 -233.77 4 5 3 32 676.989 14
Hi High (pH 8-9.5) 7.30 18.15 -48.78 2 5 1 26 674.973 14
Mid Mid (pH 6-8) 7.30 19.53 -120.72 3 5 2 31 675.981 14

Activity (Go SEA)

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