UCSF

ZINC23158409

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 20 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) 0.82 3.55 -41.71 3 4 1 46 277.388 4
Hi High (pH 8-9.5) 0.82 1.29 -7.3 2 4 0 45 276.38 4
Mid Mid (pH 6-8) 0.82 2.55 -51.6 3 4 1 49 277.388 4
Lo Low (pH 4.5-6) 0.82 4.84 -132.64 4 4 2 51 278.396 4

Activity (Go SEA)

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