UCSF

ZINC43395207

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.52 4.28 -54.16 3 6 -1 108 264.305 8
Mid Mid (pH 6-8) 0.52 4.6 -65.65 4 6 0 109 265.313 8
Lo Low (pH 4.5-6) 0.52 2.63 -38.06 5 6 1 107 266.321 8

Activity (Go SEA)

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