UCSF

ZINC12536200

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 25 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) 3.36 6.51 -12.76 1 5 0 66 399.299 4
Hi High (pH 8-9.5) 3.36 6.59 -41.05 0 5 -1 69 398.291 4

Activity (Go SEA)

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