UCSF

ZINC35475860

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 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) 2.50 6.6 -13.13 1 7 0 69 397.475 7
Mid Mid (pH 6-8) 2.50 8.85 -52.29 2 7 1 70 398.483 7

Activity (Go SEA)

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