UCSF

ZINC20179203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 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) 1.01 2.78 -43.95 4 3 1 51 290.214 3
Mid Mid (pH 6-8) 1.01 3.96 -110.55 5 3 2 52 291.222 3

Activity (Go SEA)

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