UCSF

ZINC35289158

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 25 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) 0.01 3.67 -15.62 2 7 0 93 339.351 5
Hi High (pH 8-9.5) 1.31 3.47 -56.56 1 7 -1 96 338.343 5
Lo Low (pH 4.5-6) 0.01 4.14 -38.33 3 7 1 95 340.359 5

Activity (Go SEA)

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