UCSF

ZINC35734122

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 16 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) 0.28 1.82 -40.34 3 4 1 49 226.344 4
Hi High (pH 8-9.5) 0.28 0.47 -7.12 2 4 0 44 225.336 4

Activity (Go SEA)

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