UCSF

ZINC25931142

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 24 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) 1.82 6.53 -51.92 4 5 1 77 326.42 9
Mid Mid (pH 6-8) 1.82 4.33 -14.99 3 5 0 75 325.412 9

Activity (Go SEA)

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