UCSF

ZINC49707146

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 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) 1.92 4.78 -14.35 1 6 0 66 333.432 5
Mid Mid (pH 6-8) 1.92 6.99 -53.5 2 6 1 67 334.44 5

Activity (Go SEA)

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