UCSF

ZINC09304040

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 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) 1.44 -1.41 -27.46 2 9 0 114 431.547 8

Activity (Go SEA)

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