UCSF

ZINC08618137

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2007 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) 2.05 -5.38 -20.17 2 9 0 142 418.456 6
Hi High (pH 8-9.5) 2.05 -4.82 -50.86 1 9 -1 144 417.448 6
Hi High (pH 8-9.5) 2.05 -4.8 -44.33 1 9 -1 144 417.448 6
Hi High (pH 8-9.5) 2.05 -4.24 -95.55 0 9 -2 146 416.44 6

Activity (Go SEA)

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