UCSF

ZINC37825902

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.23 2.65 -52.8 3 6 1 77 272.369 8
Lo Low (pH 4.5-6) -0.23 4.78 -99.14 4 6 2 79 273.377 8

Activity (Go SEA)

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