UCSF

ZINC43442113

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 0.14 3.69 -11.57 1 6 0 76 256.302 7
Mid Mid (pH 6-8) 0.14 4.87 -39.91 2 6 1 80 257.31 7

Activity (Go SEA)

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