UCSF

ZINC43242920

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 0.58 3.12 -103.48 5 3 2 52 242.388 6
Hi High (pH 8-9.5) 0.58 0.68 -4.57 3 3 0 49 240.372 6
Hi High (pH 8-9.5) 0.58 2.78 -29.23 4 3 1 51 241.38 6
Mid Mid (pH 6-8) 0.58 0.92 -49.86 4 3 1 51 241.38 6

Activity (Go SEA)

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