UCSF

ZINC20910698

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 31 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) 3.50 11.98 -116.59 2 6 2 48 433.637 12
Hi High (pH 8-9.5) 3.50 9.92 -41.13 1 6 1 46 432.629 12
Hi High (pH 8-9.5) 3.50 9.61 -50.33 1 6 1 46 432.629 12
Mid Mid (pH 6-8) 3.50 12.44 -90.88 2 6 2 48 433.637 12
Lo Low (pH 4.5-6) 3.50 14.03 -207.58 3 6 3 49 434.645 12

Activity (Go SEA)

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