UCSF

ZINC35011056

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 2.38 5.65 -44.6 3 4 1 59 261.345 6
Hi High (pH 8-9.5) 2.38 4.48 -12.24 2 4 0 54 260.337 6

Activity (Go SEA)

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