UCSF

ZINC43412465

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) -1.60 5.24 -105.17 5 8 1 116 298.367 7
Mid Mid (pH 6-8) -1.60 4.75 -70.49 4 8 0 114 297.359 7

Activity (Go SEA)

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