UCSF

ZINC36358170

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 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) 2.73 5.28 -12.99 2 7 0 89 399.834 4
Ref Reference (pH 7) 2.54 7.93 -13.85 2 7 0 86 399.834 4

Activity (Go SEA)

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