UCSF

ZINC37998544

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 4.65 6.36 -4.08 2 2 0 32 354.313 6
Mid Mid (pH 6-8) 4.65 7.77 -46.77 3 2 1 37 355.321 6

Activity (Go SEA)

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