UCSF

ZINC22123305

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 13 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) 2.07 6.57 -29.14 1 3 1 31 188.291 6
Mid Mid (pH 6-8) 2.07 4.99 -3.39 0 3 0 30 187.283 6

Activity (Go SEA)

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