UCSF

ZINC41681631

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 2.51 5.94 -33.44 3 3 1 34 250.41 7
Hi High (pH 8-9.5) 2.51 3.83 -2.76 2 3 0 32 249.402 7
Mid Mid (pH 6-8) 2.51 6.29 -33.46 3 3 1 34 250.41 7
Lo Low (pH 4.5-6) 2.51 8.42 -104.29 4 3 2 35 251.418 7

Activity (Go SEA)

Rings

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