UCSF

ZINC19505042

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) 1.25 2.76 -53.71 4 5 1 75 267.349 6
Hi High (pH 8-9.5) 1.25 2.47 -13.31 3 5 0 74 266.341 6

Activity (Go SEA)

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