UCSF

ZINC37828011

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.83 6.06 -54.2 0 5 -1 64 295.384 6
Mid Mid (pH 6-8) 0.83 8.28 -81.59 1 5 0 65 296.392 6

Activity (Go SEA)

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