UCSF

ZINC04994116

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 31 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) 2.72 1.45 -51.86 2 7 1 80 425.505 9
Mid Mid (pH 6-8) 2.14 1.27 -58.7 1 7 1 77 425.505 9

Activity (Go SEA)

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