UCSF

ZINC06488778

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2006 12 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) -0.49 -0.65 -36.07 3 4 1 54 176.236 1
Hi High (pH 8-9.5) -0.49 -3.08 -6.66 2 4 0 53 175.228 1

Activity (Go SEA)

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