UCSF

ZINC37837205

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -1.31 5.23 -45.45 1 7 0 85 317.411 3
Mid Mid (pH 6-8) -1.31 3.11 -46.46 0 7 -1 84 316.403 3

Activity (Go SEA)

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