UCSF

ZINC37846217

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.55 6.53 -12 0 5 0 47 352.232 6
Lo Low (pH 4.5-6) 1.55 6.94 -35.04 1 5 1 49 353.24 6

Activity (Go SEA)

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