UCSF

ZINC35325009

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 15 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) 2.62 5.44 -44.64 1 3 -1 60 247.723 6
Lo Low (pH 4.5-6) 2.62 3.46 -7.49 2 3 0 58 248.731 6

Activity (Go SEA)

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