UCSF

ZINC34296981

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2009 30 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) -2.37 -7.4 -16.16 7 10 0 171 419.362 3
Hi High (pH 8-9.5) -2.37 -6.64 -27.64 6 10 0 174 418.354 3

Activity (Go SEA)

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