UCSF

ZINC44608929

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 1.86 5.26 -43.57 3 3 1 44 282.477 5
Lo Low (pH 4.5-6) 1.86 6.82 -117.51 4 3 2 45 283.485 5

Activity (Go SEA)

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