UCSF

ZINC37840862

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) 1.11 3.45 -47.78 2 6 1 70 287.409 5
Mid Mid (pH 6-8) 1.11 1.23 -10.4 1 6 0 69 286.401 5

Activity (Go SEA)

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