UCSF

ZINC34665063

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 3.18 6.38 -37.83 2 4 1 44 274.388 4
Hi High (pH 8-9.5) 3.18 4.94 -6.13 1 4 0 39 273.38 4

Activity (Go SEA)

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