UCSF

ZINC21817193

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 4.16 9.52 -39.69 2 2 1 29 275.46 5
Lo Low (pH 4.5-6) 4.16 9.95 -107.25 3 2 2 31 276.468 5

Activity (Go SEA)

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