UCSF

ZINC62554948

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 23 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) 3.77 7.74 -9.33 0 4 0 33 318.461 7
Lo Low (pH 4.5-6) 3.77 10.2 -46.18 1 4 1 34 319.469 7

Activity (Go SEA)

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