UCSF

ZINC04825619

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 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) 6.35 3.64 -53.32 0 2 -1 40 313.461 5

Activity (Go SEA)

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