UCSF

ZINC37981327

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 21 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) 3.78 7.17 -6.6 1 6 0 88 346.557 3
Hi High (pH 8-9.5) 3.85 5.74 -33.15 0 6 -1 94 345.549 3

Activity (Go SEA)

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