UCSF

ZINC35514556

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 36 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) 4.10 13.45 -14.93 0 7 0 82 488.515 7
Lo Low (pH 4.5-6) 4.10 13.86 -37.72 1 7 1 83 489.523 7

Activity (Go SEA)

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