UCSF

ZINC37853607

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 13 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) 0.43 0.27 -5.82 2 3 0 41 185.267 6
Mid Mid (pH 6-8) 0.43 1.65 -41.13 3 3 1 46 186.275 6

Activity (Go SEA)

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