UCSF

ZINC39301177

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 6.08 12.5 -14.61 5 8 0 114 454.534 8
Mid Mid (pH 6-8) 6.08 12.7 -37.73 6 8 1 115 455.542 8
Mid Mid (pH 6-8) 6.08 12.6 -36.26 6 8 1 115 455.542 8

Activity (Go SEA)

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