UCSF

ZINC36839722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 17 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) -0.82 2.79 -32.85 3 6 0 95 246.307 10
Hi High (pH 8-9.5) -0.82 1.74 -47.33 2 6 -1 90 245.299 10

Activity (Go SEA)

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