UCSF

ZINC39335683

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 16 No

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) 2.43 7.06 -10.15 0 2 0 30 211.264 3
Lo Low (pH 4.5-6) 2.43 7.56 -39.77 1 2 1 31 212.272 3

Activity (Go SEA)

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