UCSF

ZINC19726765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 1.26 4.44 -42.05 3 3 1 54 245.346 4
Hi High (pH 8-9.5) 1.26 3.98 -6.75 2 3 0 52 244.338 4

Activity (Go SEA)

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