UCSF

ZINC19715616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 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) 3.38 12.04 -43.32 1 4 1 31 364.513 6
Mid Mid (pH 6-8) 3.38 9.78 -10.25 0 4 0 30 363.505 6
Mid Mid (pH 6-8) 3.38 10.19 -29.09 1 4 1 32 364.513 6
Lo Low (pH 4.5-6) 3.38 12.97 -105.38 2 4 2 33 365.521 6

Activity (Go SEA)

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