UCSF

ZINC31977807

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 1.61 2.89 -43.32 3 4 1 49 265.377 6
Mid Mid (pH 6-8) 1.61 4.91 -98.15 4 4 2 51 266.385 6

Activity (Go SEA)

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