UCSF

ZINC20204503

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 14 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) 1.21 4.16 -7.72 0 3 0 24 218.728 4
Mid Mid (pH 6-8) 1.21 6.56 -45.02 1 3 1 25 219.736 4

Activity (Go SEA)

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