UCSF

ZINC09422100

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 28 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) 2.49 6.94 -14 0 6 0 69 374.396 3
Lo Low (pH 4.5-6) 2.49 1.63 -121.16 2 6 2 71 376.412 3

Activity (Go SEA)

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