UCSF

ZINC59520217

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 22 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) 2.92 8.49 -60.32 1 5 -1 78 304.366 6
Lo Low (pH 4.5-6) 2.92 6.45 -12.69 2 5 0 76 305.374 6

Activity (Go SEA)

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