UCSF

ZINC69560030

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 23 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) 2.85 5.27 -14.62 3 5 0 75 317.433 6
Lo Low (pH 4.5-6) 2.85 5.7 -44.73 4 5 1 77 318.441 6

Activity (Go SEA)

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