UCSF

ZINC35107233

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) 1.66 2.68 -8.51 1 4 0 44 254.374 4
Lo Low (pH 4.5-6) 1.66 4.98 -41.07 2 4 1 45 255.382 4

Activity (Go SEA)

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