UCSF

ZINC21523918

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 22 Yes

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) 2.20 4.81 -17.97 1 6 0 81 300.362 6
Lo Low (pH 4.5-6) 2.20 5.26 -46.71 2 6 1 82 301.37 6

Activity (Go SEA)

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