UCSF

ZINC34556669

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 2.05 8.22 -62.67 2 5 1 60 370.889 1
Hi High (pH 8-9.5) 2.05 6.84 -11.5 1 5 0 55 369.881 1
Mid Mid (pH 6-8) 2.05 9.13 -105.79 3 5 2 61 371.897 1

Activity (Go SEA)

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