UCSF

ZINC37087380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.23 5.73 -51.91 2 5 1 60 261.349 3
Hi High (pH 8-9.5) 0.23 4.28 -9.98 1 5 0 56 260.341 3

Activity (Go SEA)

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