UCSF

ZINC37852182

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) 0.88 2.35 -44.41 3 5 1 78 265.333 8
Hi High (pH 8-9.5) 0.88 0.19 -9.93 2 5 0 77 264.325 8

Activity (Go SEA)

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