UCSF

ZINC19834185

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 14 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) -0.45 5.69 -49.52 1 4 1 49 196.274 4
Hi High (pH 8-9.5) -0.45 3.37 -11.21 0 4 0 47 195.266 4

Activity (Go SEA)

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