UCSF

ZINC37792530

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 0.61 6.32 -64.92 1 5 -1 93 259.285 6
Lo Low (pH 4.5-6) 0.61 4.89 -21.84 2 5 0 90 260.293 6

Activity (Go SEA)

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