UCSF

ZINC37173717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 No

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) 2.96 8.02 -26.19 1 3 1 22 244.79 5
Mid Mid (pH 6-8) 2.96 7.89 -4.75 0 3 0 21 243.782 5

Activity (Go SEA)

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