UCSF

ZINC37792390

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.81 4.73 -60.23 1 6 -1 88 288.364 12
Lo Low (pH 4.5-6) 0.81 2.31 -8.76 2 6 0 85 289.372 12

Activity (Go SEA)

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