UCSF

ZINC50821952

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2010 21 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) 1.41 7.03 -11.37 0 4 0 42 282.343 5
Lo Low (pH 4.5-6) 1.41 7.49 -47.16 1 4 1 44 283.351 5

Activity (Go SEA)

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