UCSF

ZINC34871728

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 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) 3.71 9.15 -56.94 1 8 -1 108 520.533 10
Lo Low (pH 4.5-6) 3.71 8.41 -18.14 2 8 0 106 521.541 10

Activity (Go SEA)

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