UCSF

ZINC19838535

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 2.03 1.04 -17.65 4 5 0 92 290.706 3
Mid Mid (pH 6-8) 2.03 1.71 -47.02 3 5 -1 95 289.698 3

Activity (Go SEA)

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