UCSF

ZINC39881508

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 37 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) 7.56 15.85 -35.8 2 6 1 71 484.583 5
Mid Mid (pH 6-8) 7.56 14.64 -16.29 1 6 0 70 483.575 5
Mid Mid (pH 6-8) 7.56 15.74 -16.91 1 6 0 70 483.575 5

Activity (Go SEA)

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