UCSF

ZINC25444763

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 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) 4.05 10.65 -44.9 3 4 1 49 366.46 6
Hi High (pH 8-9.5) 4.05 8.93 -13.76 2 4 0 48 365.452 6

Activity (Go SEA)

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