UCSF

ZINC09460821

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 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) 4.77 7.22 -9.85 3 7 0 106 430.508 8
Lo Low (pH 4.5-6) 4.77 7.47 -58.93 4 7 1 108 431.516 8

Activity (Go SEA)

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