UCSF

ZINC43531925

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 19 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) 3.39 5.06 -36.24 0 4 -1 61 340.222 3
Mid Mid (pH 6-8) 3.39 4.88 -7.01 1 4 0 59 341.23 3

Activity (Go SEA)

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