UCSF

ZINC37172113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 0.98 3.79 -9.77 3 5 0 75 224.308 5
Mid Mid (pH 6-8) 0.98 3.77 -9.9 3 5 0 75 224.308 5
Lo Low (pH 4.5-6) 0.98 3.91 -34.5 4 5 1 76 225.316 5

Activity (Go SEA)

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