UCSF

ZINC35311287

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 19 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) 1.86 7.13 -45.15 2 5 1 59 299.445 6
Hi High (pH 8-9.5) 1.86 4.66 -14 1 5 0 58 298.437 6
Hi High (pH 8-9.5) 2.04 5.46 -61.54 1 5 0 66 298.437 6

Activity (Go SEA)

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