UCSF

ZINC41675168

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.25 3.09 -95.87 5 5 2 67 288.48 12
Hi High (pH 8-9.5) 1.25 2.08 -40.06 4 5 1 63 287.472 12
Mid Mid (pH 6-8) 1.25 3.59 -93.62 5 5 2 67 288.48 12
Mid Mid (pH 6-8) 1.25 5.75 -185.65 6 5 3 69 289.488 12

Activity (Go SEA)

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