UCSF

ZINC54263720

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2010 20 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) 1.12 3.52 -50.99 3 6 1 73 283.348 8
Hi High (pH 8-9.5) 1.12 2.17 -12.92 2 6 0 69 282.34 8

Activity (Go SEA)

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