UCSF

ZINC06025444

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2006 27 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) 1.63 9.81 -22.48 0 9 0 97 376.344 7
Mid Mid (pH 6-8) 1.63 10.3 -58.46 1 9 1 99 377.352 7

Activity (Go SEA)

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