UCSF

ZINC25866067

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.22 10.36 -20.63 1 5 0 71 363.461 9
Mid Mid (pH 6-8) 4.22 10.58 -39.35 2 5 1 72 364.469 9

Activity (Go SEA)

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