UCSF

ZINC43248960

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 3.55 6.14 -37.26 3 2 1 31 281.489 4
Hi High (pH 8-9.5) 3.55 7.48 -29.64 3 2 1 30 281.489 4
Hi High (pH 8-9.5) 3.55 5.9 -0.93 2 2 0 29 280.481 4
Lo Low (pH 4.5-6) 3.55 7.79 -111.02 4 2 2 32 282.497 4

Activity (Go SEA)

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