UCSF

ZINC25399239

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) 0.34 4.93 -44.75 3 6 1 74 320.413 5
Hi High (pH 8-9.5) 0.34 2.75 -17.66 2 6 0 73 319.405 5

Activity (Go SEA)

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