UCSF

ZINC12631000

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 30 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) 3.68 8.86 -18.2 1 8 0 103 426.498 6
Hi High (pH 8-9.5) 3.68 8.92 -41.6 0 8 -1 105 425.49 6

Activity (Go SEA)

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