UCSF

ZINC06197551

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 21 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) 2.68 5.24 -45.23 1 5 -1 86 280.259 2
Lo Low (pH 4.5-6) 2.16 5.62 -12.8 2 5 0 80 281.267 2

Activity (Go SEA)

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