UCSF

ZINC04546753

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 17 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) 3.08 -0.55 -7.75 1 2 0 29 245.347 4

Activity (Go SEA)

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