UCSF

ZINC19720779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 20 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) 3.01 6.25 -7.69 1 3 0 33 269.344 2

Activity (Go SEA)

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