UCSF

ZINC42763731

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 3.61 7 -6.56 0 4 0 49 296.676 6
Lo Low (pH 4.5-6) 3.61 9.04 -43.72 1 4 1 50 297.684 6

Activity (Go SEA)

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