UCSF

ZINC55414326

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 23 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) 3.29 10.08 -13.31 0 3 0 33 322.433 5

Activity (Go SEA)

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