UCSF

ZINC19821977

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 1.77 4.09 -52.97 3 4 1 53 258.345 2
Hi High (pH 8-9.5) 1.77 3.71 -7.3 2 4 0 51 257.337 2

Activity (Go SEA)

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