UCSF

ZINC35450580

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 31 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) 0.84 9.26 -22.12 1 8 0 99 419.416 6
Lo Low (pH 4.5-6) 0.84 9.72 -48.54 2 8 1 100 420.424 6

Activity (Go SEA)

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