UCSF

ZINC05606668

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 24 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) 4.76 9.7 -11.29 2 4 0 57 314.392 5
Lo Low (pH 4.5-6) 4.76 10.17 -38.45 3 4 1 59 315.4 5
Lo Low (pH 4.5-6) 4.76 10.16 -31.75 3 4 1 59 315.4 5

Activity (Go SEA)

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