UCSF

ZINC40283720

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 25 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) -0.90 2.64 -16.18 2 8 0 99 344.371 4
Ref Reference (pH 7) -0.90 2.64 -16.19 2 8 0 99 344.371 4
Hi High (pH 8-9.5) -0.72 1.34 -61.68 1 8 -1 105 343.363 4

Activity (Go SEA)

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