UCSF

ZINC33813739

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 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) 3.57 11.87 -75.17 1 7 0 91 490.629 10
Lo Low (pH 4.5-6) 3.57 12.38 -96.62 2 7 1 92 491.637 10
Lo Low (pH 4.5-6) 3.57 11.07 -50.62 2 7 1 88 491.637 10

Activity (Go SEA)

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