UCSF

ZINC37806464

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 3.69 6.5 -52.52 3 3 1 48 295.834 3
Mid Mid (pH 6-8) 3.69 7.12 -7.14 2 3 0 46 294.826 3

Activity (Go SEA)

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