UCSF

ZINC34674254

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 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) 2.29 7.33 -38 1 4 1 41 274.388 6
Hi High (pH 8-9.5) 2.29 5.05 -6.76 0 4 0 40 273.38 6
Mid Mid (pH 6-8) 2.29 7.32 -43.34 1 4 1 41 274.388 6

Activity (Go SEA)

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