UCSF

ZINC33813995

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 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) 4.33 13.63 -52.5 0 9 -1 113 516.603 9
Lo Low (pH 4.5-6) 4.33 12.33 -23.24 1 9 0 110 517.611 9

Activity (Go SEA)

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