UCSF

ZINC44684466

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 2.85 9.22 -33.26 2 2 1 16 279.835 5
Hi High (pH 8-9.5) 2.85 7.6 -42.38 2 2 1 20 279.835 5
Hi High (pH 8-9.5) 2.85 6.9 -1.77 1 2 0 15 278.827 5

Activity (Go SEA)

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