UCSF

ZINC40151054

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 31 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) -0.50 16.89 -99.43 3 7 2 83 422.529 8
Hi High (pH 8-9.5) -0.50 14.68 -37.54 2 7 1 81 421.521 8

Activity (Go SEA)

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