UCSF

ZINC44679485

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 14 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) 0.67 4.01 -79.85 4 3 2 33 199.342 6
Hi High (pH 8-9.5) 0.67 0.24 -1.57 2 3 0 27 197.326 6
Hi High (pH 8-9.5) 0.67 3.77 -106.02 4 3 2 33 199.342 6
Hi High (pH 8-9.5) 0.67 1.43 -38.8 3 3 1 32 198.334 6
Hi High (pH 8-9.5) 0.67 2.87 -105.71 4 3 2 36 199.342 6

Activity (Go SEA)

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