UCSF

ZINC04245666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 39 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) 5.42 11.08 -22.52 3 11 0 157 548.633 12
Hi High (pH 8-9.5) 5.42 12.09 -60.81 2 11 -1 160 547.625 12

Activity (Go SEA)

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