UCSF

ZINC21886147

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 30 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) 3.44 10.74 -50.86 2 6 1 63 408.57 7
Lo Low (pH 4.5-6) 3.44 11.08 -85.27 3 6 2 64 409.578 7

Activity (Go SEA)

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