UCSF

ZINC04470378

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 31 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) 7.31 13.31 -10.44 1 4 0 55 428.557 5
Ref Reference (pH 7) 7.31 11.92 -10.69 1 4 0 55 428.557 5
Lo Low (pH 4.5-6) 7.31 12.46 -30.15 2 4 1 56 429.565 5
Lo Low (pH 4.5-6) 7.31 13.63 -28.36 2 4 1 56 429.565 5

Activity (Go SEA)

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