UCSF

ZINC37792177

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.04 6.76 -41.94 1 5 -1 78 294.371 8
Lo Low (pH 4.5-6) 2.04 4.81 -7.87 2 5 0 76 295.379 8

Activity (Go SEA)

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