UCSF

ZINC43707743

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 16 Yes

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) 0.83 3.71 -53.9 3 4 1 55 221.28 2
Hi High (pH 8-9.5) 0.83 2.36 -11.68 2 4 0 50 220.272 2

Activity (Go SEA)

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