UCSF

ZINC35436373

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 28 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) 0.54 5.32 -13.96 0 8 0 79 389.5 7
Mid Mid (pH 6-8) 0.54 7.6 -52.67 1 8 1 80 390.508 7

Activity (Go SEA)

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