UCSF

ZINC49563560

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 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) 5.85 13.76 -26.23 1 4 1 34 415.948 4
Mid Mid (pH 6-8) 5.85 13.75 -25.65 1 4 1 34 415.948 4
Mid Mid (pH 6-8) 5.85 13.42 -9.4 0 4 0 32 414.94 4
Lo Low (pH 4.5-6) 5.85 15.97 -89.43 2 4 2 35 416.956 4

Activity (Go SEA)

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