UCSF

ZINC22931696

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 24 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) 3.15 11.74 -35.13 1 3 1 21 324.492 7
Hi High (pH 8-9.5) 3.15 8.3 -4.21 0 3 0 19 323.484 7
Mid Mid (pH 6-8) 3.15 10.71 -34.1 1 3 1 21 324.492 7
Lo Low (pH 4.5-6) 3.15 11.17 -85.47 2 3 2 22 325.5 7

Activity (Go SEA)

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