UCSF

ZINC19470623

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 20 No

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) 2.30 8.71 -50.8 0 5 -1 78 280.344 7
Lo Low (pH 4.5-6) 2.30 6.68 -10.4 1 5 0 75 281.352 7
Lo Low (pH 4.5-6) 2.30 6.67 -10.35 1 5 0 75 281.352 7
Lo Low (pH 4.5-6) 2.30 6.73 -11.28 1 5 0 75 281.352 7

Activity (Go SEA)

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