UCSF

ZINC39761432

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 30 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) 3.28 10.02 -12.31 0 7 0 63 429.59 7
Mid Mid (pH 6-8) 3.28 12.38 -48.39 1 7 1 65 430.598 7

Activity (Go SEA)

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