UCSF

ZINC19993647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.61 1.92 -53.87 2 6 -1 102 301.25 4
Mid Mid (pH 6-8) 1.61 1.99 -92.18 1 6 -2 104 300.242 4

Activity (Go SEA)

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