UCSF

ZINC22065735

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 23 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) 1.38 5.22 -53.5 1 7 -1 107 317.321 6
Mid Mid (pH 6-8) 1.01 3.46 -105.17 0 7 -2 113 316.313 6

Activity (Go SEA)

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