UCSF

ZINC48241841

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 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) 4.73 11.02 -49.21 2 1 1 17 282.794 4
Hi High (pH 8-9.5) 4.73 9.65 -4.99 1 1 0 12 281.786 4

Activity (Go SEA)

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