UCSF

ZINC19978015

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 19 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) -0.48 2.79 -51.18 3 6 1 90 259.289 2
Mid Mid (pH 6-8) -0.48 1.4 -8.85 2 6 0 85 258.281 2

Activity (Go SEA)

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