UCSF

ZINC21630240

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 25 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) -0.25 4.4 -14.93 0 7 0 77 342.399 3
Lo Low (pH 4.5-6) -0.25 6.61 -50.23 1 7 1 78 343.407 3

Activity (Go SEA)

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