UCSF

ZINC39761257

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 33 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) 5.32 12.02 -18.78 2 9 0 126 461.503 8
Mid Mid (pH 6-8) 5.32 11.82 -46.46 1 9 -1 124 460.495 8

Activity (Go SEA)

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