UCSF

ZINC34556659

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 30 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) 4.65 11.75 -62.8 2 5 1 60 441.024 6
Hi High (pH 8-9.5) 4.65 10.39 -12.91 1 5 0 55 440.016 6
Mid Mid (pH 6-8) 4.65 12.68 -103.98 3 5 2 61 442.032 6

Activity (Go SEA)

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