UCSF

ZINC31962502

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) -0.15 2.59 -91.24 4 7 0 113 306.366 6
Mid Mid (pH 6-8) -0.15 2.89 -118.55 5 7 1 114 307.374 6

Activity (Go SEA)

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