UCSF

ZINC19840118

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 17 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) 2.57 4.8 -47.83 3 4 1 54 257.741 5
Mid Mid (pH 6-8) 2.57 5.83 -72.34 2 4 0 57 256.733 5

Activity (Go SEA)

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