UCSF

ZINC14534828

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 36 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) 4.90 13.46 -50.74 3 8 1 90 492.644 10
Lo Low (pH 4.5-6) 4.90 13.78 -100.96 4 8 2 91 493.652 10

Activity (Go SEA)

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