UCSF

ZINC33909976

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 25 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) 3.42 2.8 -41.27 1 6 -1 95 465.077 2
Hi High (pH 8-9.5) 3.42 3.59 -88.73 0 6 -2 98 464.069 2
Lo Low (pH 4.5-6) 2.96 5.47 -9.38 2 6 0 92 466.085 2

Activity (Go SEA)

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