UCSF

ZINC37084988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.30 5.64 -11.79 2 4 0 54 269.348 5
Lo Low (pH 4.5-6) 2.30 6.04 -36.08 3 4 1 55 270.356 5

Activity (Go SEA)

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