UCSF

ZINC42432911

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 14 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) -0.14 -0.84 -33.32 5 5 1 83 202.278 4
Hi High (pH 8-9.5) -0.14 -2.77 -6.7 4 5 0 82 201.27 4

Activity (Go SEA)

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