UCSF

ZINC49419951

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.57 2.34 -49.98 1 5 -1 77 269.346 6
Mid Mid (pH 6-8) 1.57 2.33 -13.7 2 5 0 75 270.354 6

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Rings

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