UCSF

ZINC20375154

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 25 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) 4.88 9.64 -60.24 1 5 -1 86 371.463 4
Hi High (pH 8-9.5) 5.33 8.28 -108.25 0 5 -2 89 370.455 4

Activity (Go SEA)

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