UCSF

ZINC34903477

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 36 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) 5.37 13.57 -11.78 1 6 0 71 522.07 9
Lo Low (pH 4.5-6) 1.70 13.9 -42.03 2 6 1 70 523.078 10

Activity (Go SEA)

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