UCSF

ZINC38244923

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 16 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) 0.10 0.75 -52.07 4 4 1 58 223.296 3
Mid Mid (pH 6-8) 0.10 2.01 -139.79 5 4 2 63 224.304 3

Activity (Go SEA)

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