UCSF

ZINC36937879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) 3.63 8 -3.84 1 2 0 25 274.795 5
Mid Mid (pH 6-8) 3.63 8.87 -43.04 2 2 1 29 275.803 5

Activity (Go SEA)

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