UCSF

ZINC21804179

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 4.13 7.83 -2.53 1 2 0 25 238.762 2
Lo Low (pH 4.5-6) 4.13 8.28 -31.61 2 2 1 26 239.77 2

Activity (Go SEA)

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