UCSF

ZINC42809781

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) -0.17 -4.02 -42.97 2 8 -1 127 323.372 7
Mid Mid (pH 6-8) -0.17 -4.18 -17.94 3 8 0 125 324.38 7

Activity (Go SEA)

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