UCSF

ZINC35216085

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 21 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) 1.85 2.99 -9.58 1 5 0 66 290.363 6
Mid Mid (pH 6-8) 1.85 5.29 -48.2 2 5 1 67 291.371 6

Activity (Go SEA)

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