UCSF

ZINC21259357

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 31 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) 4.54 8.29 -17.28 2 6 0 85 486.362 5
Hi High (pH 8-9.5) 4.54 9.05 -59.89 1 6 -1 88 485.354 5

Activity (Go SEA)

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