UCSF

ZINC22937648

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 18 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) 0.69 3.14 -6.39 0 6 0 59 258.318 6
Lo Low (pH 4.5-6) 0.69 7.67 -111.7 2 6 2 61 260.334 6

Activity (Go SEA)

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