UCSF

ZINC35450617

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) 0.67 8.99 -24.98 1 9 0 112 419.441 7
Lo Low (pH 4.5-6) 0.67 9.44 -46.99 2 9 1 113 420.449 7

Activity (Go SEA)

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