UCSF

ZINC37997384

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) 3.62 8.2 -38.87 2 3 1 35 355.227 6
Mid Mid (pH 6-8) 3.62 6.8 -5.84 1 3 0 30 354.219 6

Activity (Go SEA)

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