UCSF

ZINC21938302

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) 3.10 7.91 -61.49 3 7 1 69 466.581 6
Mid Mid (pH 6-8) 3.10 5.59 -18.55 2 7 0 68 465.573 6

Activity (Go SEA)

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