UCSF

ZINC21806894

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 4.46 8.84 -38.06 2 2 1 20 299.429 8
Mid Mid (pH 6-8) 4.46 10.61 -119.27 3 2 2 21 300.437 8
Mid Mid (pH 6-8) 4.46 10.45 -35.31 2 2 1 16 299.429 8

Activity (Go SEA)

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