UCSF

ZINC35047857

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 1.76 5.24 -41.89 4 4 1 60 290.431 7
Hi High (pH 8-9.5) 1.77 4.35 -52.93 4 4 1 63 290.431 7

Activity (Go SEA)

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