UCSF

ZINC04552260

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2005 26 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) 8.02 -0.82 -3.58 2 3 0 33 362.602 17

Activity (Go SEA)

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