UCSF

ZINC39039606

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 15 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) 1.67 6.26 -33.36 2 3 1 29 206.313 3
Hi High (pH 8-9.5) 1.67 4.37 -4.34 1 3 0 28 205.305 3
Mid Mid (pH 6-8) 1.67 6.74 -88.73 3 3 2 31 207.321 3

Activity (Go SEA)

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