UCSF

ZINC20358794

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) 2.73 9.96 -51.9 2 7 1 71 425.582 2
Hi High (pH 8-9.5) 2.73 8.67 -8.99 1 7 0 66 424.574 2

Activity (Go SEA)

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