UCSF

ZINC12324358

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 25 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) 2.66 8.09 -29.31 2 5 0 75 353.378 2
Hi High (pH 8-9.5) 2.73 6.47 -61.96 1 5 -1 81 352.37 2
Lo Low (pH 4.5-6) 3.96 -2.71 -43.93 3 5 1 76 354.386 2

Activity (Go SEA)

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