UCSF

ZINC35054566

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) 3.73 7.61 -41.91 2 3 1 42 288.44 5
Hi High (pH 8-9.5) 3.73 6.22 -10.05 1 3 0 38 287.432 5

Activity (Go SEA)

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