UCSF

ZINC25597357

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 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) 4.00 12.83 -23.74 2 7 0 88 450.546 4
Lo Low (pH 4.5-6) 4.00 13.3 -54.78 3 7 1 90 451.554 4

Activity (Go SEA)

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