UCSF

ZINC16247438

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 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) 3.00 5.03 -6.87 0 4 0 31 279.38 6
Mid Mid (pH 6-8) 3.01 7.35 -42.6 1 4 1 32 280.388 6

Activity (Go SEA)

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