UCSF

ZINC35280059

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 20 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) 0.17 4.85 -62.3 2 6 -1 104 281.332 4
Lo Low (pH 4.5-6) 0.17 2.31 -19.25 3 6 0 101 282.34 4

Activity (Go SEA)

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