UCSF

ZINC44517352

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 19 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) 2.37 8.43 -72.43 3 3 2 21 269.477 5
Mid Mid (pH 6-8) 2.37 7.29 -96.71 3 3 2 24 269.477 5
Lo Low (pH 4.5-6) 2.37 9.49 -174.62 4 3 3 25 270.485 5

Activity (Go SEA)

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