UCSF

ZINC05687030

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 25 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) 2.25 3.61 -58.44 1 6 -1 88 338.339 5
Mid Mid (pH 6-8) 2.69 -1.63 -18.87 2 6 0 84 339.347 4

Activity (Go SEA)

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