UCSF

ZINC43447898

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 2.44 7.23 -38.35 1 4 1 34 257.398 8
Mid Mid (pH 6-8) 2.44 7.4 -35.68 1 4 1 34 257.398 8
Lo Low (pH 4.5-6) 2.44 9.65 -101.18 2 4 2 35 258.406 8

Activity (Go SEA)

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