UCSF

ZINC39914913

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 38 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) 6.44 12.17 -13.53 2 7 0 91 531.056 10
Mid Mid (pH 6-8) 6.44 12.94 -49.85 1 7 -1 94 530.048 10

Activity (Go SEA)

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