UCSF

ZINC57718452

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 23 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) 2.61 8.49 -93.45 2 5 2 46 408.406 10
Hi High (pH 8-9.5) 2.61 6.04 -42.1 1 5 1 45 407.398 10

Activity (Go SEA)

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