UCSF

ZINC23018109

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 25 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) 3.19 6.53 -9.25 1 4 0 42 338.451 5
Lo Low (pH 4.5-6) 3.19 8.92 -51.79 2 4 1 43 339.459 5

Activity (Go SEA)

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