UCSF

ZINC70514450

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 1.87 3.76 -32.93 3 4 1 49 293.431 10
Hi High (pH 8-9.5) 1.87 3.42 -4.05 2 4 0 45 292.423 10
Lo Low (pH 4.5-6) 1.87 5.33 -28.63 3 4 1 46 293.431 10
Lo Low (pH 4.5-6) 1.87 5.54 -104.23 4 4 2 51 294.439 10

Activity (Go SEA)

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