UCSF

ZINC40980713

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 14 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) -2.84 4.35 -71.42 3 5 -1 108 198.198 4
Lo Low (pH 4.5-6) -2.84 2.35 -41.46 4 5 0 105 199.206 4

Activity (Go SEA)

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