UCSF

ZINC19079928

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 24 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) 1.96 -0.54 -17.42 2 8 0 118 384.464 5
Hi High (pH 8-9.5) 1.96 -0.44 -43.46 1 8 -1 120 383.456 5
Hi High (pH 8-9.5) 1.96 -0.46 -45.6 1 8 -1 120 383.456 5
Hi High (pH 8-9.5) 1.96 -0.36 -99.32 0 8 -2 122 382.448 5

Activity (Go SEA)

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