UCSF

ZINC37802797

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.78 4.63 -41.79 2 5 1 53 291.419 6
Hi High (pH 8-9.5) 0.78 3.59 -9.47 1 5 0 48 290.411 6
Mid Mid (pH 6-8) 0.78 5.36 -81.5 3 5 2 54 292.427 6
Mid Mid (pH 6-8) 0.78 6.84 -99.1 3 5 2 54 292.427 6
Lo Low (pH 4.5-6) 0.78 7.6 -182.56 4 5 3 55 293.435 6

Activity (Go SEA)

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