UCSF

ZINC12536052

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 23 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) 2.75 5.58 -15.32 1 6 0 90 333.365 6
Hi High (pH 8-9.5) 2.75 5.64 -45.1 0 6 -1 92 332.357 6

Activity (Go SEA)

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