UCSF

ZINC22744367

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 29 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) 4.39 11.5 -20.62 2 6 0 80 430.599 8
Mid Mid (pH 6-8) 5.12 11.07 -48.39 1 6 -1 77 429.591 8

Activity (Go SEA)

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