UCSF

ZINC06144060

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2006 34 No

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) 1.47 5.36 -59.44 2 9 1 109 506.626 8
Mid Mid (pH 6-8) 0.88 6.06 -69.1 1 9 1 106 506.626 8

Activity (Go SEA)

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