UCSF

ZINC45347979

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 22 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) 2.20 9.23 -97.57 3 3 2 29 324.896 4
Hi High (pH 8-9.5) 2.20 7.3 -34.39 2 3 1 28 323.888 4

Activity (Go SEA)

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