UCSF

ZINC09708659

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 31 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) 4.81 -5.75 -14.61 1 6 0 83 460.552 5
Hi High (pH 8-9.5) 4.81 -5.18 -49.65 0 6 -1 85 459.544 5

Activity (Go SEA)

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