UCSF

ZINC05764665

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 22 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) 3.22 8.33 -8.45 0 4 0 52 293.322 4
Lo Low (pH 4.5-6) 3.22 8.61 -40.45 1 4 1 54 294.33 4

Activity (Go SEA)

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