UCSF

ZINC57707940

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 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) 5.04 9.97 -30.11 2 2 1 16 352.321 4
Hi High (pH 8-9.5) 5.04 9.32 -3.01 1 2 0 15 351.313 4

Activity (Go SEA)

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