UCSF

ZINC04586431

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 31 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) 1.29 -2.96 -18.44 0 8 0 73 428.533 5

Activity (Go SEA)

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