UCSF

ZINC52750641

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2010 24 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 8.34 -9.68 0 3 0 24 340.389 4
Mid Mid (pH 6-8) 3.63 10.56 -55.3 1 3 1 25 341.397 4

Activity (Go SEA)

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