UCSF

ZINC43395682

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.41 4.56 -100.44 4 4 2 54 251.374 3
Hi High (pH 8-9.5) 1.41 3.7 -5.27 2 4 0 51 249.358 3
Hi High (pH 8-9.5) 1.41 4.15 -26.21 3 4 1 53 250.366 3
Mid Mid (pH 6-8) 1.41 4.12 -47.87 3 4 1 53 250.366 3

Activity (Go SEA)

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