UCSF

ZINC39948799

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 32 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) 1.45 2.51 -33.55 6 13 1 182 442.46 6
Hi High (pH 8-9.5) 1.45 0.4 -12.27 5 13 0 181 441.452 6

Activity (Go SEA)

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