UCSF

ZINC39756013

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 25 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) 4.26 10.48 -9.15 0 3 0 24 330.431 4
Mid Mid (pH 6-8) 4.26 12.64 -45.98 1 3 1 25 331.439 4

Activity (Go SEA)

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