UCSF

ZINC23642255

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2009 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) 3.61 5.63 -40.28 0 4 -1 54 342.849 5
Lo Low (pH 4.5-6) 3.15 6.73 -11.34 1 4 0 51 343.857 5

Activity (Go SEA)

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