UCSF

ZINC37812431

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 1.38 5.63 -37.1 2 4 1 50 237.323 4
Hi High (pH 8-9.5) 1.38 4.39 -8.6 1 4 0 45 236.315 4

Activity (Go SEA)

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