UCSF

ZINC33926219

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 30 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) 3.84 7.96 -60.82 1 6 -1 91 394.41 2
Lo Low (pH 4.5-6) 3.38 10.38 -15.59 2 6 0 88 395.418 2

Activity (Go SEA)

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