UCSF

ZINC37853579

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) 0.48 1.03 -7.87 2 4 0 51 229.32 11
Mid Mid (pH 6-8) 0.48 2.46 -42.27 3 4 1 55 230.328 11

Activity (Go SEA)

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