UCSF

ZINC09013009

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 25 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) 2.31 3.92 -43.1 0 6 -1 84 339.302 3
Lo Low (pH 4.5-6) 1.86 6.34 -11.39 1 6 0 81 340.31 3

Activity (Go SEA)

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