UCSF

ZINC37794074

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) 2.06 7.38 -60.9 1 5 -1 82 280.344 7
Lo Low (pH 4.5-6) 2.06 5.03 -9.15 2 5 0 80 281.352 7

Activity (Go SEA)

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