UCSF

ZINC04202383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 12 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) -1.14 -2.26 -42.91 3 3 0 67 167.208 2

Activity (Go SEA)

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