UCSF

ZINC22423950

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 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) 2.08 9.82 -13.18 0 7 0 67 426.524 5
Mid Mid (pH 6-8) 2.08 12.09 -52.89 1 7 1 68 427.532 5
Mid Mid (pH 6-8) 2.08 10.15 -44.75 1 7 1 68 427.532 5
Lo Low (pH 4.5-6) 2.08 12.42 -129.69 2 7 2 70 428.54 5

Activity (Go SEA)

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