UCSF

ZINC35374805

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 28 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) 3.45 7.43 -8.74 3 5 0 70 379.504 6
Lo Low (pH 4.5-6) 3.45 8.79 -42.7 4 5 1 75 380.512 6

Activity (Go SEA)

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