UCSF

ZINC34679681

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 3.30 12.27 -12.8 1 5 0 62 433.527 9
Lo Low (pH 4.5-6) 3.30 12.73 -47.39 2 5 1 64 434.535 9

Activity (Go SEA)

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