UCSF

ZINC21877713

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 34 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) 2.58 6.82 -14.19 2 9 0 106 467.57 8
Mid Mid (pH 6-8) 2.84 3.14 -37.17 3 9 1 114 468.578 8

Activity (Go SEA)

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