UCSF

ZINC21804137

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 1.47 4.42 -74.69 1 6 0 82 318.42 5
Mid Mid (pH 6-8) 1.47 2.15 -50.46 0 6 -1 81 317.412 5

Activity (Go SEA)

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