UCSF

ZINC39869744

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 30 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) 5.42 8.98 -26.43 2 8 0 121 421.434 5
Mid Mid (pH 6-8) 5.42 9.23 -51.34 1 8 -1 123 420.426 5

Activity (Go SEA)

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