UCSF

ZINC13122209

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 26 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) 3.00 5.11 -17.24 3 7 0 103 345.362 3
Hi High (pH 8-9.5) 3.46 3.13 -57.57 2 7 -1 106 344.354 3
Hi High (pH 8-9.5) 3.46 3.24 -54.84 2 7 -1 106 344.354 3
Hi High (pH 8-9.5) 3.91 2.61 -54.21 2 7 -1 109 344.354 3
Hi High (pH 8-9.5) 3.91 2.68 -47.48 2 7 -1 109 344.354 3
Hi High (pH 8-9.5) 3.91 3.57 -58.56 2 7 -1 109 344.354 3
Hi High (pH 8-9.5) 3.91 3.62 -48.88 2 7 -1 109 344.354 3
Mid Mid (pH 6-8) 3.91 1.82 -13.04 3 7 0 107 345.362 3
Mid Mid (pH 6-8) 3.00 5.02 -17.14 3 7 0 103 345.362 3
Mid Mid (pH 6-8) 3.91 2.76 -19.66 3 7 0 107 345.362 3

Activity (Go SEA)

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