UCSF

ZINC38610238

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 32 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) 4.85 8.65 -11.51 2 6 0 78 445.906 5
Mid Mid (pH 6-8) 4.85 9.42 -51.38 1 6 -1 81 444.898 5

Activity (Go SEA)

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