UCSF

ZINC17836943

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 26 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) 3.29 6.54 -13.68 2 7 0 89 370.434 7
Hi High (pH 8-9.5) 3.29 6.38 -48.98 1 7 -1 87 369.426 7

Activity (Go SEA)

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