UCSF

ZINC05059508

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 24 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) 3.64 10.12 -18.06 0 6 0 65 339.786 3
Mid Mid (pH 6-8) 3.65 10.35 -29.33 2 6 1 70 340.794 3

Activity (Go SEA)

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