UCSF

ZINC24763140

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 24 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) 2.92 8.24 -9.76 1 4 0 55 345.374 3
Hi High (pH 8-9.5) 2.98 7.06 -45.44 0 4 -1 61 344.366 3

Activity (Go SEA)

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