UCSF

ZINC05686966

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) 2.55 7.06 -57.07 0 5 -1 70 340.33 4
Mid Mid (pH 6-8) 3.00 1.41 -24.04 1 5 0 66 341.338 3
Mid Mid (pH 6-8) 1.97 1.08 -13.58 0 5 0 63 341.338 4

Activity (Go SEA)

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