UCSF

ZINC59140481

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 14 Yes

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) 1.65 5.11 -49.96 1 4 -1 69 200.258 8
Lo Low (pH 4.5-6) 1.65 3.13 -13.41 2 4 0 66 201.266 8

Activity (Go SEA)

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