UCSF

ZINC39552404

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 22 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) 2.48 6.25 -34.08 2 4 1 37 305.442 5
Hi High (pH 8-9.5) 2.48 3.92 -5.87 1 4 0 36 304.434 5
Mid Mid (pH 6-8) 2.48 6.32 -34.5 2 4 1 37 305.442 5
Lo Low (pH 4.5-6) 2.48 8.63 -105.07 3 4 2 38 306.45 5

Activity (Go SEA)

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