UCSF

ZINC53650893

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.83 8.79 -112.1 3 2 2 21 226.408 5
Hi High (pH 8-9.5) 2.83 6.96 -34.81 2 2 1 20 225.4 5
Mid Mid (pH 6-8) 2.83 8.46 -28.41 2 2 1 16 225.4 5

Activity (Go SEA)

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