UCSF

ZINC37801142

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 1.31 4.91 -11.55 1 4 0 36 279.409 4
Lo Low (pH 4.5-6) 1.31 6.78 -76.51 3 4 0 41 281.425 4

Activity (Go SEA)

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