UCSF

ZINC31962594

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.25 5.39 -94.47 5 6 2 77 307.442 6
Mid Mid (pH 6-8) 0.25 5.66 -151.55 6 6 3 79 308.45 6

Activity (Go SEA)

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