UCSF

ZINC20072093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.04 2.39 -4.89 2 3 0 38 240.734 2
Lo Low (pH 4.5-6) 2.04 4.8 -43.37 3 3 1 40 241.742 2

Activity (Go SEA)

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