UCSF

ZINC20967332

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 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) 3.19 6.52 -41.66 2 3 1 29 265.421 10
Mid Mid (pH 6-8) 3.19 7.41 -34.14 2 3 1 26 265.421 10

Activity (Go SEA)

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