UCSF

ZINC05602569

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 23 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) 3.31 5.82 -15.6 2 6 0 84 309.325 2
Hi High (pH 8-9.5) 3.32 6.65 -68.08 1 6 -1 87 308.317 2

Activity (Go SEA)

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