UCSF

ZINC14240894

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 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) 1.30 3.68 -34.37 3 5 1 70 264.349 2
Mid Mid (pH 6-8) 1.30 3.27 -10.56 2 5 0 68 263.341 2

Activity (Go SEA)

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