UCSF

ZINC33814133

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 38 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) 3.17 13.74 -72.8 1 9 0 101 518.614 12
Lo Low (pH 4.5-6) 3.17 12.44 -58.33 2 9 1 98 519.622 12

Activity (Go SEA)

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