UCSF

ZINC09235031

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 25 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) 5.58 6.8 -12.21 2 5 0 75 439.718 3
Hi High (pH 8-9.5) 6.03 4.78 -44.95 1 5 -1 78 438.71 3
Hi High (pH 8-9.5) 5.58 7.44 -49.83 1 5 -1 78 438.71 3
Hi High (pH 8-9.5) 6.03 5.7 -105.85 0 5 -2 81 437.702 3
Hi High (pH 8-9.5) 6.03 5.26 -42.27 1 5 -1 78 438.71 3
Hi High (pH 8-9.5) 6.03 6.19 -102.37 0 5 -2 81 437.702 3
Hi High (pH 8-9.5) 5.58 7.72 -49.16 1 5 -1 78 438.71 3

Activity (Go SEA)

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