UCSF

ZINC19635879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 25 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) 5.57 10.23 -34.55 2 3 1 28 349.583 9
Hi High (pH 8-9.5) 5.57 10.32 -37.42 2 3 1 28 349.583 9
Lo Low (pH 4.5-6) 5.57 12.39 -115.57 3 3 2 29 350.591 9

Activity (Go SEA)

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