UCSF

ZINC33719799

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 26 No

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) 2.39 8.55 -15.45 1 5 0 41 435.391 8
Mid Mid (pH 6-8) 2.39 10.81 -52.65 2 5 1 42 436.399 8
Lo Low (pH 4.5-6) 2.39 11.27 -108.69 3 5 2 43 437.407 8

Activity (Go SEA)

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