UCSF

ZINC33760397

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 35 No

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) 4.59 10.91 -11.82 1 7 0 80 489.597 8
Lo Low (pH 4.5-6) 0.92 11.93 -36.57 2 7 1 80 490.605 9

Activity (Go SEA)

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