UCSF

ZINC58378360

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 26 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) 0.58 5.14 -17.96 2 7 0 89 349.394 7
Lo Low (pH 4.5-6) 0.58 5.59 -50.55 3 7 1 90 350.402 7

Activity (Go SEA)

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