UCSF

ZINC37382570

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 31 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) 5.47 13.88 -9.54 1 5 0 58 439.003 10
Lo Low (pH 4.5-6) 5.47 14.42 -31.9 2 5 1 59 440.011 10

Activity (Go SEA)

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