UCSF

ZINC31913388

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 2.82 6.77 -16.39 1 5 0 56 312.369 4
Mid Mid (pH 6-8) 2.82 7.17 -31.58 2 5 1 57 313.377 4

Activity (Go SEA)

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