UCSF

ZINC36328383

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 16 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) 1.92 4.66 -100.7 4 3 2 41 230.396 6
Hi High (pH 8-9.5) 1.92 3.3 -33.37 3 3 1 37 229.388 6
Mid Mid (pH 6-8) 1.92 5.2 -39.7 3 3 1 44 229.388 6

Activity (Go SEA)

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