UCSF

ZINC33776903

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 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) 3.62 10.04 -58.59 0 9 -1 126 477.474 7
Lo Low (pH 4.5-6) 3.62 9.23 -17.45 1 9 0 123 478.482 7

Activity (Go SEA)

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