UCSF

ZINC34570888

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 No

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) 0.87 4.98 -14.08 1 7 0 85 264.285 5
Hi High (pH 8-9.5) 0.38 3.64 -38.55 0 7 -1 88 263.277 5

Activity (Go SEA)

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