UCSF

ZINC43395449

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.57 5.65 -97.23 4 3 2 45 221.348 2
Hi High (pH 8-9.5) 1.57 5.24 -23.44 3 3 1 43 220.34 2
Mid Mid (pH 6-8) 1.57 5.27 -47.45 3 3 1 44 220.34 2

Activity (Go SEA)

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