UCSF

ZINC19438678

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 19 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) 2.18 4.47 -110.02 5 4 2 61 271.449 6
Hi High (pH 8-9.5) 2.18 2.4 -55.21 4 4 1 60 270.441 6
Hi High (pH 8-9.5) 2.18 4.13 -36.63 4 4 1 60 270.441 6
Hi High (pH 8-9.5) 2.18 2.06 -7.49 3 4 0 58 269.433 6

Activity (Go SEA)

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