UCSF

ZINC42825375

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 0.50 1.66 -36.58 3 4 1 47 229.344 5
Hi High (pH 8-9.5) 0.50 1.5 -36.98 3 4 1 47 229.344 5
Mid Mid (pH 6-8) 0.50 2.92 -119.98 4 4 2 52 230.352 5

Activity (Go SEA)

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