UCSF

ZINC33334667

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 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) 3.36 9.51 -43.63 0 4 -1 58 351.382 3
Lo Low (pH 4.5-6) 2.90 10.59 -11.39 1 4 0 55 352.39 3

Activity (Go SEA)

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