UCSF

ZINC19436265

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 20 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) 2.69 6.61 -52.94 1 4 -1 69 284.282 8
Lo Low (pH 4.5-6) 2.69 5.49 -15.5 2 4 0 66 285.29 8

Activity (Go SEA)

Rings

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