UCSF

ZINC43401325

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.72 4.7 -35.45 4 5 1 77 277.392 7
Mid Mid (pH 6-8) 0.72 6.11 -5.95 3 5 0 75 276.384 7
Lo Low (pH 4.5-6) 0.72 5.18 -89.67 5 5 2 78 278.4 7

Activity (Go SEA)

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