UCSF

ZINC09112650

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 24 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) 3.62 1.19 -12.54 0 5 0 52 338.436 7
Lo Low (pH 4.5-6) 3.62 1.25 -38.63 1 5 1 54 339.444 7

Activity (Go SEA)

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