UCSF

ZINC19844304

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 1.62 2.91 -60.82 4 5 1 90 278.357 3
Mid Mid (pH 6-8) 1.44 2.42 -85.3 3 5 0 89 277.349 4

Activity (Go SEA)

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