UCSF

ZINC37822751

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 No

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) -0.14 1.16 -7.83 1 4 0 36 239.344 2
Mid Mid (pH 6-8) -0.14 2.46 -42.22 2 4 1 40 240.352 2

Activity (Go SEA)

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