UCSF

ZINC39917141

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.52 10.99 -45.8 1 5 1 35 379.528 8
Mid Mid (pH 6-8) 3.52 11.76 -89.5 2 5 2 36 380.536 8
Mid Mid (pH 6-8) 3.52 8.62 -10.62 0 5 0 34 378.52 8
Mid Mid (pH 6-8) 3.52 10.86 -42.95 1 5 1 35 379.528 8

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