UCSF

ZINC35698251

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 18 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) 1.26 6.98 -13.39 1 5 0 64 284.362 3
Mid Mid (pH 6-8) 1.72 5.81 -41.59 0 5 -1 67 283.354 3

Activity (Go SEA)

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