UCSF

ZINC19714950

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 25 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) 2.95 5.08 -10.2 1 5 0 45 365.905 5
Mid Mid (pH 6-8) 2.95 7.66 -50.16 2 5 1 46 366.913 5

Activity (Go SEA)

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