UCSF

ZINC43453375

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) -0.55 4.89 -46.56 3 4 1 51 246.4 7
Hi High (pH 8-9.5) -0.55 2.86 -14.22 2 4 0 50 245.392 7

Activity (Go SEA)

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