UCSF

ZINC48418229

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 21 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) 2.82 8.4 -31.49 1 4 1 26 291.415 4
Mid Mid (pH 6-8) 2.82 6.14 -4.56 0 4 0 25 290.407 4

Activity (Go SEA)

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