UCSF

ZINC22621775

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 29 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) 3.95 8.22 -18.97 2 7 0 78 395.507 5
Lo Low (pH 4.5-6) 3.95 8.51 -47.68 3 7 1 79 396.515 5

Activity (Go SEA)

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