UCSF

ZINC04307084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 19 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) 1.85 4.52 -40.29 4 5 1 91 343.226 5
Hi High (pH 8-9.5) 1.85 4.54 -11.77 3 5 0 89 342.218 5

Activity (Go SEA)

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