UCSF

ZINC12605355

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 28 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) 4.24 5.05 -13.32 2 6 0 92 440.905 6
Hi High (pH 8-9.5) 4.24 5.11 -37.46 1 6 -1 94 439.897 6
Hi High (pH 8-9.5) 4.24 5.12 -39.01 1 6 -1 94 439.897 6
Hi High (pH 8-9.5) 4.24 5.17 -102.97 0 6 -2 96 438.889 6

Activity (Go SEA)

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