UCSF

ZINC41846254

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.47 6.22 -21.06 2 7 0 101 375.479 4
Hi High (pH 8-9.5) 2.66 4.98 -46.56 1 7 -1 107 374.471 4

Activity (Go SEA)

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