UCSF

ZINC43402328

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) 1.63 2.82 -101.66 4 5 2 71 282.31 6
Hi High (pH 8-9.5) 1.63 0.3 -7.79 2 5 0 68 280.294 6
Mid Mid (pH 6-8) 1.63 0.54 -44.53 3 5 1 70 281.302 6

Activity (Go SEA)

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