UCSF

ZINC36161546

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 33 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 7.56 -59.22 3 8 1 102 476.619 12
Hi High (pH 8-9.5) 2.75 5.4 -18.48 2 8 0 101 475.611 12
Hi High (pH 8-9.5) 3.21 4.92 -51.55 2 8 0 105 475.611 12

Activity (Go SEA)

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