UCSF

ZINC20107721

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 32 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) 5.36 15.74 -17.88 1 4 0 37 439.584 9
Lo Low (pH 4.5-6) 5.36 16.17 -61.44 2 4 1 39 440.592 9

Activity (Go SEA)

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