UCSF

ZINC59929998

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 20 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) 2.75 7.15 -9.14 0 3 0 24 292.448 4
Mid Mid (pH 6-8) 2.75 9.38 -47.68 1 3 1 25 293.456 4

Activity (Go SEA)

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