UCSF

ZINC45703382

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 2.63 6.37 -28.48 2 3 1 26 231.404 11
Mid Mid (pH 6-8) 2.63 7.39 -105.43 3 3 2 30 232.412 11
Mid Mid (pH 6-8) 2.63 5.8 -30.32 2 3 1 29 231.404 11

Activity (Go SEA)

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