UCSF

ZINC25501985

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 24 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) 6.02 11.56 -8.93 0 2 0 16 312.416 2
Mid Mid (pH 6-8) 6.02 11.93 -24.51 1 2 1 17 313.424 2

Activity (Go SEA)

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