UCSF

ZINC40527504

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 20 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) -3.01 -5.66 -53.76 5 9 -1 159 290.248 5
Lo Low (pH 4.5-6) -3.01 -7.76 -16.12 6 9 0 157 291.256 5

Activity (Go SEA)

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