UCSF

ZINC28540042

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 21 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) 4.21 10.54 -9.53 0 3 0 30 297.427 2
Lo Low (pH 4.5-6) 4.21 10.96 -23.7 1 3 1 31 298.435 2

Activity (Go SEA)

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