UCSF

ZINC21815930

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 4.55 10.39 -43.64 2 1 1 17 272.799 3
Hi High (pH 8-9.5) 4.55 9.26 -4.57 1 1 0 12 271.791 3

Activity (Go SEA)

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