UCSF

ZINC08990293

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 34 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) 2.79 6.99 -13.64 0 8 0 83 460.486 6
Lo Low (pH 4.5-6) 2.79 2.2 -129.08 2 8 2 85 462.502 6

Activity (Go SEA)

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