UCSF

ZINC43424612

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 1.85 2.41 -45.6 3 3 1 40 239.383 2
Lo Low (pH 4.5-6) 1.85 4.25 -120.77 4 3 2 41 240.391 2

Activity (Go SEA)

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