UCSF

ZINC04894312

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 30 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) 2.56 1.44 -20.81 3 8 0 119 410.378 4
Hi High (pH 8-9.5) 2.56 2.31 -44.18 2 8 -1 121 409.37 4

Activity (Go SEA)

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