UCSF

ZINC37853713

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 1.07 0.75 -48.18 4 5 1 90 265.333 7
Hi High (pH 8-9.5) 1.07 -0.57 -9.46 3 5 0 86 264.325 7

Activity (Go SEA)

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