UCSF

ZINC23128784

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 29 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) 3.42 8.33 -47.76 1 6 1 54 401.506 5
Mid Mid (pH 6-8) 3.42 5.94 -10.07 0 6 0 53 400.498 5

Activity (Go SEA)

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