UCSF

ZINC34850441

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 39 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) 5.93 13.9 -64.54 3 6 1 61 532.728 5
Hi High (pH 8-9.5) 5.93 10.82 -15.08 2 6 0 60 531.72 5

Activity (Go SEA)

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