UCSF

ZINC25471117

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 33 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) 1.45 2.03 -22.01 4 9 0 115 456.543 10
Lo Low (pH 4.5-6) 1.45 4.33 -69.31 5 9 1 116 457.551 10

Activity (Go SEA)

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