UCSF

ZINC41676891

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) -0.30 2.16 -97.89 4 5 2 69 253.412 9
Hi High (pH 8-9.5) -0.30 -0.32 -53.77 3 5 1 68 252.404 9

Activity (Go SEA)

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