UCSF

ZINC25445406

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 4.14 8.4 -21.68 2 7 0 101 444.582 7
Hi High (pH 8-9.5) 4.14 8.49 -49.34 1 7 -1 103 443.574 7
Hi High (pH 8-9.5) 4.21 7.5 -49.19 1 7 -1 107 443.574 7
Hi High (pH 8-9.5) 4.21 7.59 -94.38 0 7 -2 109 442.566 7

Activity (Go SEA)

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