UCSF

ZINC19513686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 20 No

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) 0.99 4.31 -26.29 2 5 0 59 293.392 4
Mid Mid (pH 6-8) 0.99 6.69 -60.98 3 5 1 60 294.4 4

Activity (Go SEA)

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