UCSF

ZINC21786839

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 3.58 5.24 -57.9 2 5 -1 89 304.709 4
Mid Mid (pH 6-8) 3.58 6.28 -99.39 1 5 -2 92 303.701 4

Activity (Go SEA)

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