UCSF

ZINC05562345

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 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) 3.83 9.35 -56.18 0 4 -1 60 397.248 5
Mid Mid (pH 6-8) 4.28 0.54 -17.71 1 4 0 57 398.256 4
Mid Mid (pH 6-8) 3.25 -0.14 -9.05 0 4 0 54 398.256 5

Activity (Go SEA)

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