UCSF

ZINC19880084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 30 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) 3.08 8.77 -70.37 1 7 0 83 473.323 6
Hi High (pH 8-9.5) 3.08 6.22 -58.45 0 7 -1 82 472.315 6

Activity (Go SEA)

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