UCSF

ZINC06548031

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 36 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) 3.41 9.09 -19.06 2 8 0 101 486.572 5
Lo Low (pH 4.5-6) 3.41 9.38 -45.11 3 8 1 102 487.58 5

Activity (Go SEA)

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