UCSF

ZINC25449785

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 No

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) 3.27 7.43 -23.96 2 9 0 130 397.416 6
Hi High (pH 8-9.5) 3.09 6.35 -45.84 1 9 -1 136 396.408 6

Activity (Go SEA)

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