UCSF

ZINC38450515

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 23 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) 2.08 4.98 -14.28 2 6 0 78 316.405 7
Mid Mid (pH 6-8) 2.54 4.33 -38.87 2 6 0 82 316.405 7
Mid Mid (pH 6-8) 2.08 7.02 -47.48 3 6 1 79 317.413 7

Activity (Go SEA)

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