UCSF

ZINC22911016

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 2.33 4.16 -35.49 2 2 1 20 239.77 2
Hi High (pH 8-9.5) 2.33 4.45 -2.44 1 2 0 15 238.762 2
Lo Low (pH 4.5-6) 2.33 6.29 -105.01 3 2 2 21 240.778 2

Activity (Go SEA)

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