UCSF

ZINC35264233

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 34 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) 2.89 9.93 -60.73 0 7 -1 92 457.506 9
Lo Low (pH 4.5-6) 2.89 9.17 -17.26 1 7 0 89 458.514 9
Lo Low (pH 4.5-6) 2.89 9.64 -45.92 2 7 1 90 459.522 9

Activity (Go SEA)

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