UCSF

ZINC33491199

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 33 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) 3.60 13.15 -53.3 1 7 0 91 450.535 11
Lo Low (pH 4.5-6) 3.60 12.02 -52.89 2 7 1 88 451.543 11

Activity (Go SEA)

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