UCSF

ZINC09703621

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 17 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) -2.26 -10.06 -44.75 4 8 -1 139 242.211 5
Lo Low (pH 4.5-6) -2.72 -9.24 -15.87 5 8 0 136 243.219 5

Activity (Go SEA)

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