UCSF

ZINC34660206

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 2.22 8.85 -95.82 3 6 2 76 283.372 9
Hi High (pH 8-9.5) 2.22 6.73 -54.51 2 6 1 75 282.364 9
Hi High (pH 8-9.5) 2.22 4.95 -11.16 1 6 0 70 281.356 9
Hi High (pH 8-9.5) 2.22 7.41 -42.17 2 6 1 72 282.364 9

Activity (Go SEA)

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