UCSF

ZINC05840294

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 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) 0.46 7.04 -19.01 1 13 0 169 568.273 10
Hi High (pH 8-9.5) 0.91 4.93 -61.76 0 13 -1 172 567.265 10

Activity (Go SEA)

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