UCSF

ZINC37998539

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 4.44 7.11 -3.87 2 2 0 32 368.34 7
Mid Mid (pH 6-8) 4.44 8.45 -46.85 3 2 1 37 369.348 7

Activity (Go SEA)

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