UCSF

ZINC20189398

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) 0.97 5.29 -35.83 2 4 1 34 237.371 4
Lo Low (pH 4.5-6) 0.97 6.56 -107.76 3 4 2 39 238.379 4
Lo Low (pH 4.5-6) 0.97 4.31 -43.42 2 4 1 38 237.371 4

Activity (Go SEA)

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