UCSF

ZINC20225340

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 14 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) 1.75 3.81 -47.96 3 2 1 31 213.37 5
Mid Mid (pH 6-8) 1.75 4.89 -28.21 3 2 1 30 213.37 5
Lo Low (pH 4.5-6) 1.75 5.75 -121.1 4 2 2 32 214.378 5

Activity (Go SEA)

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