UCSF

ZINC33766337

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 31 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) 0.70 5.75 -53.14 0 9 -1 110 427.433 9
Lo Low (pH 4.5-6) 0.70 4.45 -21.34 1 9 0 107 428.441 9

Activity (Go SEA)

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