UCSF

ZINC09130296

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 22 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) 2.99 3.14 -14.41 1 5 0 80 424.725 4
Hi High (pH 8-9.5) 2.99 -6.96 -41.68 0 5 -1 82 423.717 4

Activity (Go SEA)

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