UCSF

ZINC41892500

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 24 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) 2.10 6.88 -6.5 1 5 0 53 345.468 4
Mid Mid (pH 6-8) 2.10 8.76 -34.46 2 5 1 54 346.476 4

Activity (Go SEA)

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