UCSF

ZINC33701600

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 35 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) 3.97 11.57 -72.12 2 7 0 94 480.605 11
Lo Low (pH 4.5-6) 3.97 10.27 -51.62 3 7 1 92 481.613 11

Activity (Go SEA)

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