UCSF

ZINC45194906

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 22 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) 2.67 5.51 -10.32 1 5 0 69 299.326 3
Hi High (pH 8-9.5) 2.67 6.5 -52.65 0 5 -1 71 298.318 3
Lo Low (pH 4.5-6) 2.67 5.96 -41.53 2 5 1 70 300.334 3

Activity (Go SEA)

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