UCSF

ZINC26511562

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 16 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 3.56 -10.12 3 4 0 64 237.69 3
Lo Low (pH 4.5-6) 2.47 3.66 -31.64 4 4 1 65 238.698 3

Activity (Go SEA)

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