UCSF

ZINC19855391

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.22 7.6 -23.9 1 7 0 69 408.502 7
Mid Mid (pH 6-8) 3.22 9.91 -62.69 2 7 1 70 409.51 7
Mid Mid (pH 6-8) 3.22 8 -36.84 2 7 1 70 409.51 7
Lo Low (pH 4.5-6) 3.22 10.32 -117.25 3 7 2 71 410.518 7

Activity (Go SEA)

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