UCSF

ZINC19393284

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 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) 0.58 4.18 -40.83 3 3 1 46 224.324 5
Hi High (pH 8-9.5) 0.58 3.86 -4.69 2 3 0 44 223.316 5

Activity (Go SEA)

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