UCSF

ZINC05542530

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 20 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) 3.43 6.83 -42.98 0 4 -1 59 265.244 1
Mid Mid (pH 6-8) 2.75 2.47 -17.25 0 4 0 52 266.252 1

Activity (Go SEA)

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