UCSF

ZINC35895452

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 25 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) 2.65 6.06 -6.34 2 5 0 101 394.276 1
Lo Low (pH 4.5-6) 2.65 5.87 -42.59 3 5 1 102 395.284 1

Activity (Go SEA)

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