UCSF

ZINC26650220

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 30 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) 2.96 11.3 -43.88 2 6 1 53 410.586 9
Mid Mid (pH 6-8) 2.96 8.92 -9.92 1 6 0 52 409.578 9

Activity (Go SEA)

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