UCSF

ZINC05445521

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 27 No

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) 2.37 7.63 -54.27 0 8 -1 115 367.337 5
Mid Mid (pH 6-8) 2.81 0.69 -18.04 1 8 0 112 368.345 4

Activity (Go SEA)

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