UCSF

ZINC41651692

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 4.72 10.64 -9.95 0 5 0 46 426.516 4
Lo Low (pH 4.5-6) 4.72 11.37 -49.9 1 5 0 47 427.524 4

Activity (Go SEA)

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