UCSF

ZINC19271453

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 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) 1.78 4.92 -108.56 4 3 2 35 229.412 6
Hi High (pH 8-9.5) 1.78 2.53 -40.32 3 3 1 34 228.404 6
Mid Mid (pH 6-8) 1.78 4.44 -114.9 4 3 2 35 229.412 6

Activity (Go SEA)

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