UCSF

ZINC33728555

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 27 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) 2.93 6.22 -46.1 3 10 -1 162 425.859 6
Lo Low (pH 4.5-6) 2.93 6.15 -18.18 4 10 0 160 426.867 6

Activity (Go SEA)

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