UCSF

ZINC44629159

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) -1.20 3.24 -76.63 3 7 0 92 286.376 7
Lo Low (pH 4.5-6) -1.20 5.42 -142.13 4 7 1 94 287.384 7

Activity (Go SEA)

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