UCSF

ZINC04884721

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 28 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) 4.70 9.62 -15.89 1 5 0 66 398.528 6
Hi High (pH 8-9.5) 4.70 10.13 -50.07 0 5 -1 69 397.52 6

Activity (Go SEA)

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