UCSF

ZINC39154242

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 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) 2.37 6.4 -49.21 3 5 -1 95 277.344 9
Lo Low (pH 4.5-6) 2.37 4.42 -11.3 4 5 0 92 278.352 9

Activity (Go SEA)

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