UCSF

ZINC35123072

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 20 Yes

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) 2.71 8.63 -44.72 1 4 -1 69 278.372 3
Lo Low (pH 4.5-6) 2.71 6.78 -6.48 2 4 0 66 279.38 3

Activity (Go SEA)

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