UCSF

ZINC35425890

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 30 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) 2.21 11.54 -20.16 1 9 0 99 399.414 4
Lo Low (pH 4.5-6) 2.21 12.09 -47.31 2 9 1 100 400.422 4

Activity (Go SEA)

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