UCSF

ZINC25358809

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 23 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) 4.55 10.09 -38.42 2 3 1 34 315.481 5
Hi High (pH 8-9.5) 4.55 7.85 -8.22 1 3 0 32 314.473 5

Activity (Go SEA)

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