UCSF

ZINC40304415

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 15 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) 2.43 5.01 -8.02 2 3 0 46 226.345 4
Lo Low (pH 4.5-6) 2.43 4.88 -33.22 3 3 1 48 227.353 4

Activity (Go SEA)

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