UCSF

ZINC33028567

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 15 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) 1.75 7.71 -42.58 1 3 1 25 213.345 3
Hi High (pH 8-9.5) 1.75 5.19 -7.71 0 3 0 24 212.337 3

Activity (Go SEA)

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