UCSF

ZINC12466924

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 28 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) 5.21 9 -14.85 2 6 0 84 438.281 3
Hi High (pH 8-9.5) 5.21 10 -64.6 1 6 -1 87 437.273 3
Hi High (pH 8-9.5) 5.21 9.84 -68.84 1 6 -1 87 437.273 3

Activity (Go SEA)

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