UCSF

ZINC03899742

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 28 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) 4.08 7.36 -9.42 3 5 0 88 364.408 2
Mid Mid (pH 6-8) 4.08 6.75 -8.87 3 5 0 88 364.408 2

Activity (Go SEA)

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