UCSF

ZINC60314268

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 29 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) 0.82 5.09 -54.72 2 8 -1 109 395.439 4
Lo Low (pH 4.5-6) 0.82 3.14 -13.15 3 8 0 106 396.447 4

Activity (Go SEA)

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