UCSF

ZINC36478722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 38 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) 4.73 15.65 -56.75 1 6 1 48 516.706 6
Mid Mid (pH 6-8) 4.73 13.44 -13.78 0 6 0 47 515.698 6

Activity (Go SEA)

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