UCSF

ZINC70514073

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 2.03 5.07 -38.82 3 4 1 49 293.431 7
Hi High (pH 8-9.5) 2.03 4 -3.41 2 4 0 45 292.423 7
Hi High (pH 8-9.5) 2.03 4.7 -34.46 3 4 1 46 293.431 7
Lo Low (pH 4.5-6) 2.03 5.74 -115.78 4 4 2 51 294.439 7

Activity (Go SEA)

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