UCSF

ZINC21012154

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 21 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) 1.36 5.11 -26 2 5 0 59 307.419 5
Mid Mid (pH 6-8) 1.36 7.37 -58.96 3 5 1 60 308.427 5

Activity (Go SEA)

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