UCSF

ZINC36721961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 18 Yes

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) 1.48 -1.38 -40.75 2 6 -1 108 356.243 5
Lo Low (pH 4.5-6) 1.48 -1.46 -13.65 3 6 0 106 357.251 5

Activity (Go SEA)

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