UCSF

ZINC19948869

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 16 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) 2.47 5.82 -4.51 1 2 0 25 232.352 5
Lo Low (pH 4.5-6) 2.47 6.26 -36.15 2 2 1 26 233.36 5
Lo Low (pH 4.5-6) 2.47 7.11 -49.11 2 2 1 29 233.36 5

Activity (Go SEA)

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