UCSF

ZINC19910093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 33 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) 4.80 12.09 -15.89 0 6 0 57 447.531 8
Mid Mid (pH 6-8) 4.80 13.85 -53.74 1 6 1 58 448.539 8

Activity (Go SEA)

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