UCSF

ZINC37812212

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.07 1.9 -48.33 4 7 1 103 288.368 10
Hi High (pH 8-9.5) 0.07 2.07 -12.98 3 7 0 102 287.36 10

Activity (Go SEA)

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