UCSF

ZINC21486996

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 36 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) 4.51 10.24 -56.37 0 7 -1 82 512.026 10
Mid Mid (pH 6-8) 4.51 12.57 -70.73 1 7 0 83 513.034 10

Activity (Go SEA)

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