UCSF

ZINC20015070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 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) 0.46 2.15 -73.24 3 7 0 107 301.368 6
Hi High (pH 8-9.5) 0.46 1.85 -80.27 2 7 -1 109 300.36 6

Activity (Go SEA)

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