UCSF

ZINC22942607

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 28 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) 3.38 8.34 -44.37 3 6 1 66 381.5 6
Mid Mid (pH 6-8) 3.38 6.13 -13.76 2 6 0 65 380.492 6

Activity (Go SEA)

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