UCSF

ZINC43409788

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 0.67 2.14 -41.46 5 6 1 94 291.375 4
Hi High (pH 8-9.5) 0.67 0.67 -10.84 4 6 0 89 290.367 4
Mid Mid (pH 6-8) 0.67 2.41 -94.01 6 6 2 95 292.383 4

Activity (Go SEA)

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