UCSF

ZINC36929967

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) 2.23 8.96 -44.93 1 3 1 25 281.807 4
Mid Mid (pH 6-8) 2.23 6.75 -9.06 0 3 0 24 280.799 4

Activity (Go SEA)

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