UCSF

ZINC38409880

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 13 No

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) 0.28 6.25 -31.75 6 5 1 91 184.267 3
Hi High (pH 8-9.5) 0.28 6.33 -4.2 5 5 0 89 183.259 3
Hi High (pH 8-9.5) 0.28 6.44 -8.67 5 5 0 89 183.259 3
Mid Mid (pH 6-8) 0.28 6.41 -28.51 6 5 1 91 184.267 3
Mid Mid (pH 6-8) 0.28 6.44 -8.51 5 5 0 89 183.259 3
Mid Mid (pH 6-8) 0.28 6.36 -8.84 5 5 0 89 183.259 3
Lo Low (pH 4.5-6) 0.28 6.2 -97.8 7 5 2 92 185.275 3

Activity (Go SEA)

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