UCSF

ZINC34676678

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 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) 2.66 14.05 -40.86 1 7 1 57 399.563 3
Mid Mid (pH 6-8) 2.66 14.23 -83.89 2 7 2 58 400.571 3
Mid Mid (pH 6-8) 2.66 11.67 -11.55 0 7 0 56 398.555 3

Activity (Go SEA)

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