UCSF

ZINC04279649

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 31 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) 4.54 11.51 -6.95 0 6 0 59 414.461 4
Ref Reference (pH 7) 4.54 11.44 -12.39 0 6 0 59 414.461 4

Activity (Go SEA)

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