UCSF

ZINC25388686

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 34 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) 4.94 11.46 -28.22 2 7 0 85 456.546 8
Lo Low (pH 4.5-6) 4.94 11.85 -46.87 3 7 1 87 457.554 8

Activity (Go SEA)

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