UCSF

ZINC07122506

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2006 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) 4.09 6.21 -17.26 2 5 0 75 377.466 6
Mid Mid (pH 6-8) 4.55 4.97 -44.26 1 5 -1 78 376.458 6

Activity (Go SEA)

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