UCSF

ZINC55238615

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 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) 1.94 4.4 -7.56 1 2 0 33 221.206 2
Lo Low (pH 4.5-6) 1.94 4.79 -35.59 2 2 1 34 222.214 2

Activity (Go SEA)

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