UCSF

ZINC04172521

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 32 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) 6.41 15.52 -14.59 1 4 0 39 419.528 7
Mid Mid (pH 6-8) 6.41 15.95 -28.2 2 4 1 40 420.536 7

Activity (Go SEA)

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