UCSF

ZINC23157082

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 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) 2.66 5.36 -11.57 1 5 0 51 340.423 7
Mid Mid (pH 6-8) 2.66 7.63 -47.38 2 5 1 52 341.431 7

Activity (Go SEA)

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