UCSF

ZINC15978765

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 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) 6.34 12.85 -13.67 1 4 0 63 432.57 5
Hi High (pH 8-9.5) 6.80 11.73 -49.91 0 4 -1 66 431.562 5

Activity (Go SEA)

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