UCSF

ZINC33097103

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2009 32 No

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) 7.78 14.27 -10.16 0 4 0 44 442.584 4
Ref Reference (pH 7) 7.78 15.14 -9.73 0 4 0 44 442.584 4

Activity (Go SEA)

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