UCSF

ZINC39133099

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 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) 0.76 4.62 -90.52 5 3 2 58 181.283 2
Mid Mid (pH 6-8) 0.76 4.11 -45.77 4 3 1 56 180.275 2

Activity (Go SEA)

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