UCSF

ZINC35445967

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 34 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) 1.79 8.78 -20.73 1 8 0 86 461.566 5
Lo Low (pH 4.5-6) 1.79 9.25 -46.78 2 8 1 87 462.574 5

Activity (Go SEA)

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