UCSF

ZINC33492984

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 34 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) 3.59 11.42 -75.45 2 7 0 94 466.578 11
Lo Low (pH 4.5-6) 3.59 10.14 -58.22 3 7 1 92 467.586 11

Activity (Go SEA)

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