UCSF

ZINC01137474

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 27 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) 3.87 -7.09 -14.25 2 6 0 92 402.497 6
Hi High (pH 8-9.5) 3.87 -6.63 -44.87 1 6 -1 94 401.489 6
Hi High (pH 8-9.5) 3.87 -6.05 -95.77 0 6 -2 96 400.481 6
Hi High (pH 8-9.5) 3.87 -6.51 -44.2 1 6 -1 94 401.489 6

Activity (Go SEA)

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