UCSF

ZINC38837431

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 34 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) 6.51 11.88 -11.36 0 6 0 55 502.08 10
Mid Mid (pH 6-8) 6.51 14.16 -50.05 1 6 1 56 503.088 10

Activity (Go SEA)

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