UCSF

ZINC39881679

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 37 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.68 16.39 -35.31 2 6 1 59 487.583 6
Mid Mid (pH 6-8) 6.68 16.24 -18.58 1 6 0 58 486.575 6

Activity (Go SEA)

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