UCSF

ZINC34627684

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 25 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) 2.60 7.57 -57.36 4 6 1 92 365.837 7
Hi High (pH 8-9.5) 2.60 7.15 -13.65 3 6 0 91 364.829 7

Activity (Go SEA)

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