UCSF

ZINC35459285

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) 2.62 11.77 -17.86 1 7 0 73 482.584 6
Lo Low (pH 4.5-6) 2.62 12.53 -93.95 2 7 0 74 483.592 6

Activity (Go SEA)

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