UCSF

ZINC35765626

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 18 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) 1.79 4.41 -28.28 3 3 1 34 254.442 5
Hi High (pH 8-9.5) 1.79 3.99 -34.38 3 3 1 34 254.442 5
Mid Mid (pH 6-8) 1.79 6.6 -91.4 4 3 2 35 255.45 5
Mid Mid (pH 6-8) 1.79 4.71 -110.56 4 3 2 35 255.45 5

Activity (Go SEA)

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