UCSF

ZINC21790414

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 2.55 4.47 -42.72 3 4 1 49 353.284 3
Hi High (pH 8-9.5) 2.55 5.5 -37.08 3 4 1 46 353.284 3
Mid Mid (pH 6-8) 2.55 3.25 -5.01 2 4 0 44 352.276 3
Lo Low (pH 4.5-6) 2.55 6.72 -112.78 4 4 2 50 354.292 3

Activity (Go SEA)

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