UCSF

ZINC39899286

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 31 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) 5.20 8.9 -11.29 2 6 0 78 504.812 7
Mid Mid (pH 6-8) 5.20 9.67 -45.66 1 6 -1 81 503.804 7

Activity (Go SEA)

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