UCSF

ZINC43443817

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 14 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) 2.38 5.13 -3.91 1 3 0 38 219.712 7
Mid Mid (pH 6-8) 2.38 6.11 -39.15 2 3 1 43 220.72 7

Activity (Go SEA)

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