UCSF

ZINC03639332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 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) 4.83 12.04 -44.24 1 3 1 17 345.894 7
Mid Mid (pH 6-8) 4.83 9.83 -4.99 0 3 0 16 344.886 7

Activity (Go SEA)

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