UCSF

ZINC39869955

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 28 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) 4.51 10.27 -121.72 1 7 -2 122 398.371 5
Mid Mid (pH 6-8) 4.51 9.86 -195.29 0 7 -3 124 397.363 5

Activity (Go SEA)

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