UCSF

ZINC54705171

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 24 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) 2.55 4.84 -12.22 2 6 0 79 335.448 4
Hi High (pH 8-9.5) 2.74 2.19 -44.19 1 6 -1 85 334.44 4

Activity (Go SEA)

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