UCSF

ZINC33710007

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 30 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) 2.26 5.58 -17.22 1 7 0 65 424.423 5
Mid Mid (pH 6-8) 2.26 7.9 -53.16 2 7 1 66 425.431 5

Activity (Go SEA)

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