UCSF

ZINC54554434

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2010 17 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) 3.71 8.83 -112.55 3 2 2 21 240.435 5
Mid Mid (pH 6-8) 3.71 6.39 -36.72 2 2 1 20 239.427 5

Activity (Go SEA)

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