UCSF

ZINC44608739

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) 0.29 2.74 -43.27 3 3 1 44 226.369 5
Hi High (pH 8-9.5) 0.29 4.14 -29.28 3 3 1 43 226.369 5
Lo Low (pH 4.5-6) 0.29 4.52 -118.65 4 3 2 45 227.377 5

Activity (Go SEA)

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