UCSF

ZINC19563727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 26 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) 2.49 9.89 -18.14 1 7 0 82 365.418 5
Hi High (pH 8-9.5) 2.56 8.99 -52.48 0 7 -1 88 364.41 5

Activity (Go SEA)

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