UCSF

ZINC03870454

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 11 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) -2.62 -9.83 -45.95 6 5 1 97 164.181 2

Activity (Go SEA)

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