UCSF

ZINC35655697

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 9 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) 0.75 2.71 -6.9 2 3 0 44 125.175 1
Lo Low (pH 4.5-6) 0.75 2.87 -25.77 3 3 1 45 126.183 1

Activity (Go SEA)

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