UCSF

ZINC42465379

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 1.65 5.73 -8.5 0 4 0 38 241.722 4
Lo Low (pH 4.5-6) 1.65 5.85 -28.86 1 4 1 40 242.73 4

Activity (Go SEA)

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