UCSF

ZINC03999972

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 29 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) 5.91 12.35 -9.21 1 4 0 42 390.527 6

Activity (Go SEA)

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