UCSF

ZINC43323092

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 43 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) 6.15 13.14 -27.1 1 8 0 91 574.681 9
Lo Low (pH 4.5-6) 6.15 13.96 -36.34 2 8 1 93 575.689 9

Activity (Go SEA)

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