UCSF

ZINC35272724

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 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) 5.36 11.86 -56.2 0 5 -1 74 479.35 6
Lo Low (pH 4.5-6) 5.36 11.1 -12.34 1 5 0 71 480.358 6

Activity (Go SEA)

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