UCSF

ZINC43703717

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 20 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) -0.26 1.5 -50.72 0 8 -1 105 278.244 4
Mid Mid (pH 6-8) -0.26 3.76 -48.98 1 8 0 106 279.252 4

Activity (Go SEA)

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