UCSF

ZINC45698928

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 14 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) -0.77 4.73 -96.51 3 4 2 41 203.33 7
Hi High (pH 8-9.5) -0.77 3.37 -39.63 2 4 1 37 202.322 7

Activity (Go SEA)

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