UCSF

ZINC21822234

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 29 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) 3.85 12.07 -38.93 2 4 1 37 394.583 7
Hi High (pH 8-9.5) 3.85 9.47 -9.57 1 4 0 36 393.575 7

Activity (Go SEA)

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