UCSF

ZINC41720649

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 2.32 1.89 -34.48 4 4 1 69 216.264 3
Hi High (pH 8-9.5) 2.32 1.46 -11.94 3 4 0 68 215.256 3

Activity (Go SEA)

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