UCSF

ZINC35351715

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) 4.01 8.43 -12.92 1 6 0 64 467.635 12
Lo Low (pH 4.5-6) 4.01 10.41 -53.99 2 6 1 65 468.643 12

Activity (Go SEA)

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