UCSF

ZINC43800403

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) -3.50 3.15 -108.36 5 8 1 125 269.281 5
Hi High (pH 8-9.5) -3.50 1.18 -64.77 3 8 -1 119 267.265 5
Mid Mid (pH 6-8) -3.50 2.61 -85.62 4 8 0 124 268.273 5

Activity (Go SEA)

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