UCSF

ZINC00213112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 21 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) 1.32 -0.75 -52.56 2 5 1 55 293.387 5

Activity (Go SEA)

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