UCSF

ZINC34683372

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 5.71 12.94 -38.38 2 4 1 45 415.557 5
Hi High (pH 8-9.5) 5.71 13.7 -39.55 1 4 0 48 414.549 5

Activity (Go SEA)

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