UCSF

ZINC55494681

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 19 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) 2.52 4.79 -16.43 1 4 0 55 292.282 5
Hi High (pH 8-9.5) 2.98 2.46 -49.73 0 4 -1 58 291.274 5

Activity (Go SEA)

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