UCSF

ZINC38594934

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 20 No

Other Names:

MFCD09836227

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) 2.38 4.47 -84.41 2 6 -2 121 328.282 13
Hi High (pH 8-9.5) 2.38 6.7 -275.44 0 6 -4 126 326.266 13
Mid Mid (pH 6-8) 2.38 5.59 -176.66 1 6 -3 124 327.274 13

Activity (Go SEA)

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