UCSF

ZINC33541152

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 36 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) 3.66 12.1 -59.97 0 7 -1 92 483.544 10
Lo Low (pH 4.5-6) 3.66 10.8 -23.17 1 7 0 89 484.552 10

Activity (Go SEA)

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