UCSF

ZINC43251948

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 3.74 5.4 -44.14 3 2 1 31 287.88 4
Hi High (pH 8-9.5) 3.74 7.22 -34.11 3 2 1 30 287.88 4
Hi High (pH 8-9.5) 3.74 4.92 -1.35 2 2 0 29 286.872 4
Lo Low (pH 4.5-6) 3.74 7.52 -117.64 4 2 2 32 288.888 4

Activity (Go SEA)

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