UCSF

ZINC06797261

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 22 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) 2.74 7.28 -19.54 1 6 0 68 298.346 5
Lo Low (pH 4.5-6) 2.74 7.47 -50.15 2 6 1 70 299.354 5

Activity (Go SEA)

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