UCSF

ZINC41201298

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 3.75 7.48 -29.88 2 2 1 29 265.446 5
Hi High (pH 8-9.5) 3.75 7.36 -4.15 1 2 0 25 264.438 5
Lo Low (pH 4.5-6) 3.75 8.39 -85.29 3 2 2 31 266.454 5

Activity (Go SEA)

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