UCSF

ZINC24926150

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 34 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) 2.79 7.44 -15.47 1 8 0 78 464.566 8
Mid Mid (pH 6-8) 2.79 9.6 -58.8 2 8 1 79 465.574 8
Mid Mid (pH 6-8) 2.86 5.72 -41.23 2 8 1 83 465.574 8
Mid Mid (pH 6-8) 2.86 8.18 -39.31 2 8 1 83 465.574 8

Activity (Go SEA)

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