UCSF

ZINC09329397

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 33 No

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) 2.96 4.04 -12.99 3 9 0 125 448.479 7
Lo Low (pH 4.5-6) 2.96 4.36 -62.18 4 9 1 126 449.487 7

Activity (Go SEA)

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