UCSF

ZINC37860916

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) -1.04 0.29 -23.91 2 7 0 99 265.269 4
Mid Mid (pH 6-8) -0.58 -1.85 -56.12 1 7 -1 103 264.261 4

Activity (Go SEA)

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