UCSF

ZINC08218928

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 32 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) 3.69 -0.5 -50.18 8 8 1 147 464.664 19
Hi High (pH 8-9.5) 3.69 -1.15 -14.07 7 8 0 146 463.656 19

Activity (Go SEA)

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