UCSF

ZINC21938669

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 34 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) 3.08 8.88 -59.8 2 7 1 60 466.581 5
Mid Mid (pH 6-8) 3.08 6.56 -18.36 1 7 0 59 465.573 5

Activity (Go SEA)

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